data_5tgw_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 5tgw _Structure_validation_residue.Date_analyzed 2017-08-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt . . . . . 0 N--CA 1.448 -0.538 0 CA-C-O 120.724 0.297 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 tp -69.35 -44.96 70.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -67.03 -44.4 80.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.03 -46.11 90.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.149 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.3 m -65.31 -39.51 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -62.82 -44.3 97.67 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.394 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.4 -43.27 94.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 110.787 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.64 -37.18 80.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.92 -48.87 77.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.279 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 10' ' ' GLY . 82.4 t -58.91 -44.23 90.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.704 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.499 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 14.6 mm100 -62.3 -43.45 98.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.09 85.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.528 ' CD2' HD21 ' A' ' 94' ' ' LEU . 25.3 m-85 -65.38 -38.44 90.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.379 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.9 mm100 -61.55 -43.65 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 2.9 mpt_? -64.56 -35.66 81.71 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.162 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.18 -43.95 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.556 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -65.11 -39.98 93.88 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 42.0 mt-10 -63.19 -41.6 99.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.788 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 19' ' ' ARG . 83.5 mt -66.13 -38.37 81.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.363 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.63 -39.21 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.604 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.5 -28.2 69.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.13 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.48 -17.67 50.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.11 19.19 75.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.874 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -90.28 93.73 9.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.577 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -69.52 -25.96 64.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.926 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.38 -50.72 58.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.194 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' HG22 ' A' ' 35' ' ' VAL . 17.0 m -67.01 -34.35 77.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -62.14 -46.43 89.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.602 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.92 -40.57 95.26 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -63.71 -44.84 92.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.837 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 31' ' ' SER . 89.0 t -63.27 -34.69 68.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.751 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.1 mt -60.0 -36.12 76.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.349 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.37 -41.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.85 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 43' ' ' ILE . 38.4 mm -60.15 -38.82 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.065 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.77 -43.26 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.606 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.71 -41.08 98.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.876 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.61 -40.58 84.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.5 mt -59.62 -43.77 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.9 -44.36 96.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.139 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -70.27 -40.24 74.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -65.59 -41.72 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 109.74 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -63.55 -36.21 83.04 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.651 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.2 -42.98 99.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.866 0.365 . . . . 0.0 110.418 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.8 mt -67.47 -42.63 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.408 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -68.04 -40.45 82.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 19.5 t70 -68.33 -25.3 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.137 0.494 . . . . 0.0 110.662 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -81.37 -44.51 17.48 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.291 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -75.1 -31.97 61.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 51' ' ' ASP . 4.1 pt20 -18.68 91.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -174.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.64 -16.37 25.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.34 -176.76 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.31 127.6 32.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.691 0.282 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.6 -37.02 82.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -61.22 -41.95 97.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.978 0.418 . . . . 0.0 110.283 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.47 -40.97 73.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.558 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.81 95.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 -42.96 68.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.633 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.8 -32.76 74.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.03 -42.02 97.24 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.15 -37.92 95.23 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 9.9 t70 -61.25 -41.81 97.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.422 -0.389 . . . . 0.0 110.537 177.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.27 -42.51 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.4 -43.02 99.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.462 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 65' ' ' GLY . 72.2 t -63.94 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 49.3 mt-30 -63.04 -30.59 71.72 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.515 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.04 -48.39 71.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-O 120.845 0.355 . . . . 0.0 110.461 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.52 -35.17 70.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.471 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 22.1 tm0? -61.04 -46.57 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.847 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -68.7 -35.43 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.609 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 79' ' ' ILE . 71.9 t80 -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.889 -178.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.59 -38.85 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.794 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 12.1 mm-40 -61.91 -39.78 93.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.363 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.627 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 75' ' ' PHE . 78.5 mt -62.49 -43.06 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.55 -36.66 83.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.975 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -78.18 -14.22 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.24 23.87 73.31 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.539 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 15.7 t70 -87.02 96.87 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.126 0.488 . . . . 0.0 110.971 -176.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -65.32 -29.35 70.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.12 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.44 -47.67 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.454 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 18.6 m -70.0 -36.41 75.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.8 mt -59.4 -48.2 82.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.338 -178.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.904 0.383 . . . . 0.0 111.042 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.09 -43.19 99.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.803 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 86' ' ' SER . 95.4 mt -67.99 -35.85 79.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.412 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.9 mt -61.06 -41.0 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.465 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -65.47 -44.31 87.56 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.117 0.484 . . . . 0.0 110.176 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.89 -41.1 90.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.818 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.528 HD21 ' CD2' ' A' ' 17' ' ' PHE . 66.9 tp -61.96 -45.9 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.615 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 51.0 mt-10 -62.99 -46.94 85.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.51 -35.51 80.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -64.19 -40.91 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.389 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.1 mt -62.7 -40.46 97.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 95.6 mt-30 -62.69 -40.85 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.39 -45.69 68.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 97' ' ' ALA . 74.5 mt -60.67 -39.92 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.824 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -60.59 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 6.9 mm-40 -66.36 -37.84 86.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.896 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.04 -33.87 75.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.437 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.7 67.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.023 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.32 -2.9 58.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.482 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.2 tptm . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 121.57 0.7 . . . . 0.0 110.6 -179.426 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.58 -38.24 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -63.28 -46.83 84.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.95 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -63.81 -45.06 91.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.462 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.47 -47.07 80.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.151 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.67 -41.61 89.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.836 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.46 -46.9 68.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.45 0.167 . . . . 0.0 111.055 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.85 -36.48 84.07 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.281 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.49 -48.6 81.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -66.86 -45.68 87.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 110.673 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 19.5 mm100 -64.47 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.039 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.52 94.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 110.66 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.5 m-85 -67.63 -38.44 83.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.818 177.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.31 -44.0 97.93 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 38.4 mtm-85 -69.71 -35.91 75.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.2 0.524 . . . . 0.0 109.927 177.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.09 -38.03 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.315 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -58.54 -42.28 87.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.88 -41.3 91.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.681 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.53 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.391 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.35 -41.09 94.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.325 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -77.58 -17.81 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.329 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.18 65.82 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.639 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.11 92.4 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.071 0.462 . . . . 0.0 110.069 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.32 -37.19 86.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.948 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.85 -50.25 74.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.888 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -69.33 -30.89 69.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.7 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 14.7 tp -59.75 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.33 -39.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.76 -46.96 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.17 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -65.9 -34.5 70.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.93 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 89.2 mt -60.12 -39.43 86.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.075 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.79 -39.38 94.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.488 . . . . 0.0 110.194 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.8 mm-40 -61.14 -41.07 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.926 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.8 mt -66.56 -38.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.742 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 52.5 mt-10 -58.84 -40.65 84.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.01 0.434 . . . . 0.0 110.476 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 43.8 mt-10 -65.95 -39.43 90.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.9 mt -65.95 -40.15 91.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 95.4 mt -60.22 -45.73 95.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.276 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -67.79 -39.91 83.98 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.267 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 59.2 mtpt -61.46 -44.56 96.9 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.028 0.442 . . . . 0.0 110.099 177.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.81 -47.68 84.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.34 -35.05 78.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -66.33 -36.58 83.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.584 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.83 -39.38 94.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.423 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.95 -43.35 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.061 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.4 -33.29 75.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.128 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -81.12 -28.95 34.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.301 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -67.02 -38.36 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -150.98 120.87 7.09 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.263 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -80.07 94.29 5.93 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.04 -172.94 2.55 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.444 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' ' HG3' ' A' ' 60' ' ' GLU . . . -73.9 157.99 35.27 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.747 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.46 -39.15 89.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.034 0.445 . . . . 0.0 110.311 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.89 -33.24 75.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.396 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' A' ' 57' ' ' ALA . 44.8 mt-10 -70.94 -41.4 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.299 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.86 91.28 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.34 83.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.822 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.47 -44.54 96.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.18 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.28 -37.99 74.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.309 0.575 . . . . 0.0 110.263 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -70.97 -46.49 44.25 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.413 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.11 -35.81 78.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.269 0.628 . . . . 0.0 112.395 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.1 -43.14 96.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 0.0 110.127 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -69.33 -41.49 76.59 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.035 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 65' ' ' GLY . 88.4 t -61.17 -37.94 78.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.44 -38.89 88.82 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.501 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.455 ' HG ' ' NH2' ' A' ' 74' ' ' ARG . 2.2 tt -65.41 -46.67 79.06 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.25 -38.68 91.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.48 -45.67 93.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.585 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.455 ' NH2' ' HG ' ' A' ' 71' ' ' LEU . 52.8 mtm180 -61.43 -36.99 81.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.148 0.499 . . . . 0.0 110.145 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.571 ' O ' HG13 ' A' ' 79' ' ' ILE . 61.3 t80 -66.76 -46.67 74.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.527 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -62.45 -44.55 96.14 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.853 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.26 -46.18 91.45 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.57 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.14 -35.92 80.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.4 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -64.27 -46.09 94.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.57 -36.78 83.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.382 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 12.6 mptt -88.66 -4.02 58.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.87 31.69 61.92 Favored Glycine 0 C--O 1.235 0.215 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.357 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.546 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m-20 -88.39 78.62 7.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.105 0.479 . . . . 0.0 110.665 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.545 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.51 -39.54 84.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.255 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.56 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 11.9 m -71.94 -38.46 69.83 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.8 mt -60.13 -48.51 81.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.835 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.73 -36.26 83.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.554 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.59 -35.02 78.2 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.4 mt -66.4 -34.61 78.35 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.318 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 91.2 mt -58.61 -34.38 71.07 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.93 -44.6 95.62 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.997 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.91 -41.03 97.45 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.416 0.627 . . . . 0.0 109.429 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 17' ' ' PHE . 59.6 tp -61.66 -46.12 91.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 43.8 mt-10 -60.14 -46.69 88.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -63.46 -39.26 94.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.6 mt -63.4 -42.32 98.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 68.0 mm-40 -66.16 -39.22 89.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 59.0 tttp -61.21 -40.3 93.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.999 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 97' ' ' ALA . 71.0 mt -60.13 -45.75 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.584 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -68.54 -37.46 79.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.768 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 35.6 mm-40 -60.8 -39.0 87.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.141 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.5 mt -73.47 -40.97 63.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.036 178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.3 -28.58 63.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.085 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -2.96 58.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.107 0.48 . . . . 0.0 110.862 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.863 178.22 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.08 -44.93 87.31 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -70.72 -38.91 73.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.296 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -60.61 -43.31 97.61 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 46' ' ' HIS . 31.2 m -61.58 -35.68 78.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.74 -44.79 88.57 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.04 -44.04 97.0 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 109.975 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.01 -36.84 80.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.801 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.84 -47.44 85.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.8 t -60.15 -45.11 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.797 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.44 -45.85 92.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.56 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.413 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -67.82 -38.73 83.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.567 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 86.5 mm-40 -61.34 -44.07 97.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.929 0.395 . . . . 0.0 110.014 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -66.02 -36.78 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.379 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.8 -44.74 96.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -65.0 -40.73 95.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 46.1 mt-10 -60.75 -46.7 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.309 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.97 -39.12 82.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.76 -41.78 98.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.97 -32.62 74.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.31 -17.61 48.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.569 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 28.0 54.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.649 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.47 92.99 8.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.27 0.535 . . . . 0.0 110.091 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.42 -39.59 87.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.888 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.22 -50.92 71.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.606 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' HG21 ' A' ' 35' ' ' VAL . 17.6 m -71.49 -34.0 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 tp -61.45 -46.88 88.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 0.0 109.896 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.46 -40.63 93.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.724 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.73 -39.83 95.3 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.865 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 31' ' ' SER . 98.6 t -68.83 -34.27 63.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.892 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -59.08 -38.2 78.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.035 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.01 -43.4 95.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.5 tt0 -61.92 -45.45 93.68 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.149 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.9 mt -59.6 -39.29 79.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.97 -42.29 97.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.66 -45.27 94.76 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.0 mt -61.95 -42.66 99.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.017 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.1 mt -60.85 -46.62 95.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.685 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.47 -44.32 87.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 88.8 tttt -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 78.6 t60 -63.27 -46.62 85.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -34.35 77.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.024 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.06 -45.78 69.5 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.276 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 87.7 mt -63.2 -46.01 89.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.431 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -63.09 -47.68 81.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.846 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.93 -31.25 71.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.629 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -74.15 -28.74 61.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.457 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.5 mmm180 -75.46 -38.91 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.655 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG2' ' H ' ' A' ' 56' ' ' ALA . 60.1 tt0 -174.53 155.1 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.881 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -36.52 51.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.434 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' H ' ' HG2' ' A' ' 54' ' ' GLN . . . 53.72 47.61 23.35 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.888 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.22 111.64 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.971 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.708 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.8 t -64.19 -39.42 93.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.53 -44.73 73.96 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.9 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.541 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.09 84.58 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.101 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.708 ' HG2' ' O ' ' A' ' 59' ' ' THR . 29.3 mmtp -66.5 -43.66 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 110.539 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -65.92 -43.37 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.082 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -45.78 68.81 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.656 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.25 -41.65 97.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.644 0.259 . . . . 0.0 111.555 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 77.6 mm-40 -70.26 -39.07 75.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -68.21 -46.04 71.68 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.44 -41.43 91.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.632 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.25 -42.3 99.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.74 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.263 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.84 -43.2 99.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.115 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -60.85 -44.9 96.36 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -59.8 -42.48 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.836 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -66.73 -48.09 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.633 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -65.65 -33.82 76.77 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.294 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.633 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 7.8 tp10 -60.03 -46.13 90.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.921 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.57 -36.27 83.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.581 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.0 mm -64.54 -47.1 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.075 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.62 -34.71 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.336 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.62 -11.35 59.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.188 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.49 31.94 68.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.684 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.517 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 t70 -97.59 96.14 8.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.0 110.741 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HA ' HD13 ' A' ' 87' ' ' LEU . 96.5 mttt -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.496 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.3 -49.93 75.43 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.756 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 p -72.21 -34.28 68.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.972 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.4 mt -59.29 -40.98 87.85 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.05 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.3 mt-10 -62.91 -39.28 94.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.724 0.297 . . . . 0.0 111.069 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.06 -37.82 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.21 0.528 . . . . 0.0 109.983 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.3 -35.88 78.56 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.665 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.4 mt -59.14 -40.42 85.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.136 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -69.92 -41.71 74.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 110.758 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -34.78 78.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.175 0.512 . . . . 0.0 110.448 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 98' ' ' LEU . 31.6 tp -61.35 -45.02 96.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.537 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.18 -46.2 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.998 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.25 -41.95 99.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.57 86.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.901 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -67.93 -38.98 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.64 -40.54 97.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.03 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.538 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 86.2 tttt -61.83 -47.18 86.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.815 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.02 -42.89 97.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -63.93 -39.04 93.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.241 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.162 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 90.6 mt -65.4 -31.89 73.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 110.578 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.63 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -84.93 -2.6 58.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.364 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 120.859 0.362 . . . . 0.0 110.513 179.239 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.591 0.234 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.87 -42.53 69.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.399 . . . . 0.0 110.692 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -63.33 -45.69 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.381 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -69.89 -34.47 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -62.96 -41.47 99.54 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -66.77 -39.89 93.68 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.27 -39.08 85.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.965 0.506 . . . . 0.0 110.798 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.69 -37.17 83.13 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.238 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.27 -39.59 92.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.636 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 98' ' ' LEU . 47.4 t -58.77 -42.3 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.15 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.183 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.43 91.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.46 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -67.49 -40.44 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -64.2 -41.9 96.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.14 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 23' ' ' ILE . 20.8 tpp180 -66.4 -36.54 83.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.901 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.88 -42.82 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.257 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -63.41 -40.0 96.02 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 46.7 mt-10 -61.97 -45.4 93.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.787 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 19' ' ' ARG . 75.1 mt -63.65 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.309 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.64 -41.0 94.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.826 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.36 -30.13 69.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.227 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.1 mttt -77.69 -17.35 57.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.57 27.15 57.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.809 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -93.15 92.45 7.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.0 -27.09 63.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.348 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.86 -51.01 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.976 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.424 ' O ' HG21 ' A' ' 35' ' ' VAL . 10.8 m -72.2 -33.92 67.99 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.512 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -61.19 -47.29 86.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.259 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.362 . . . . 0.0 111.313 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -64.92 -42.06 95.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 31' ' ' SER . 92.6 t -66.41 -35.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.818 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -60.71 -36.65 79.34 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.09 0.472 . . . . 0.0 110.19 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -38.64 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.335 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.03 -44.68 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.9 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.562 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.7 mt -60.03 -38.93 78.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.468 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.84 -39.16 90.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.66 -44.08 82.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.803 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.78 -39.09 90.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.893 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 39' ' ' ILE . 98.2 mt -59.98 -44.34 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.041 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.71 -37.62 87.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.067 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 80.5 tttt -60.7 -45.08 95.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.989 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -64.93 -45.32 86.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.094 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 39.2 mmt180 -61.91 -42.51 99.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.603 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.545 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 99.2 mt -66.75 -35.8 80.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -73.13 -41.07 64.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.744 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.64 -34.87 77.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -19.79 62.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.677 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 25.5 mmt180 -75.78 -37.49 59.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 0.0 110.649 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -145.02 86.4 1.78 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.132 0.492 . . . . 0.0 110.196 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.383 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.46 -20.89 59.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.86 30.38 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.307 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.31 -37.78 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.636 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.5 m -76.22 -42.06 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.524 0.202 . . . . 0.0 111.515 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.53 -44.53 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.651 0.262 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.25 86.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -42.76 78.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -72.38 -37.68 68.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.867 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.61 -40.88 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -66.3 -36.05 91.14 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.536 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.75 -42.0 96.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.824 0.345 . . . . 0.0 110.734 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -69.54 -35.05 75.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -67.13 -47.6 70.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.219 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 65' ' ' GLY . 91.1 t -61.91 -39.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.584 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 22.1 tp60 -62.24 -42.03 98.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.252 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.45 -42.95 91.82 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -61.86 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.495 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.72 -37.44 87.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.04 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 95.8 mtt180 -58.76 -37.67 76.76 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.34 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 79' ' ' ILE . 73.6 t80 -63.5 -46.96 83.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.576 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -65.52 -41.39 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 10.3 mm-40 -60.87 -42.91 98.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.36 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.23 83.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 75' ' ' PHE . 77.1 mt -64.11 -42.06 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.08 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.938 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 84.8 mttt -80.07 -13.59 59.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.459 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.0 70.43 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.955 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.74 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.0 t70 -87.39 91.52 8.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -70.99 -36.34 72.43 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.832 -173.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -65.16 -36.18 83.41 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.609 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.49 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 24.3 m -70.69 -38.83 73.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.819 177.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.5 mt -60.02 -47.61 85.15 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.77 -45.44 85.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.75 -42.89 81.08 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.802 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.5 mt -61.41 -36.49 80.46 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.384 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.7 mt -59.61 -46.17 89.75 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.21 -44.05 72.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.733 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.57 -40.42 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.073 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.483 ' O ' HD21 ' A' ' 98' ' ' LEU . 38.3 tp -66.2 -46.42 77.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.774 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.62 -42.97 97.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.866 0.365 . . . . 0.0 111.254 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.82 -35.21 79.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -38.09 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.85 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.49 ' HB3' HG21 ' A' ' 14' ' ' VAL . 4.1 mm? -63.3 -35.25 79.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.308 177.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 16.0 mm100 -62.85 -38.22 89.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.486 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 32.0 mmtm -67.74 -36.32 80.35 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.885 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 98' ' ' LEU . 67.0 mt -61.94 -40.31 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 0.0 110.066 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.28 -38.17 85.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.6 mt-10 -73.07 -44.92 59.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.768 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -61.48 -28.38 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.356 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -29.41 70.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 0.0 111.079 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -94.85 -22.41 18.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.27 0.557 . . . . 0.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.977 0.417 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtp180 -62.94 -44.28 96.49 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.019 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -61.3 -44.5 97.11 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.062 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -67.49 -35.07 78.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.134 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.62 90.13 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.24 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.47 -35.54 80.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.718 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.22 -45.44 91.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.277 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.58 -46.67 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.616 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 41.8 t -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.776 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -67.71 -40.22 84.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.494 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.07 -40.5 93.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.493 ' CD2' HD23 ' A' ' 94' ' ' LEU . 42.7 m-85 -67.4 -36.85 82.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 81.4 mm-40 -61.43 -42.89 99.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 26.4 ptt85 -68.78 -32.96 73.06 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.228 0.537 . . . . 0.0 109.64 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.41 -39.33 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.53 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -59.46 -38.5 80.96 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.654 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -45.11 94.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.211 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' CD1' HG22 ' A' ' 35' ' ' VAL . 76.1 mt -67.9 -41.02 84.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.376 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.57 -38.69 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.06 -33.98 74.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -84.28 -7.38 59.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.954 0.407 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.43 27.43 73.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.063 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.53 92.47 9.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.951 0.405 . . . . 0.0 110.101 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -61.17 -39.32 89.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.574 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 4.6 m-20 -60.42 -51.35 69.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.372 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.0 m -70.26 -33.33 71.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 23.7 tp -61.56 -47.26 86.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.308 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.58 -40.85 93.19 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 80.0 mm-40 -60.42 -42.82 96.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.5 t -70.09 -34.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 72.6 mt -60.1 -37.1 78.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.671 0.272 . . . . 0.0 110.386 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 33.6 tt0 -63.36 -43.48 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.3 tt0 -63.38 -41.69 98.79 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.145 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.0 mm -59.73 -40.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 39.5 tt0 -61.39 -40.67 95.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.796 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 40.1 mt-10 -66.53 -41.91 88.05 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.7 mt -61.89 -39.63 92.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.333 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.7 mt -60.22 -40.99 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 82.8 mm-40 -62.32 -39.92 94.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -66.1 -43.41 87.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.317 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.018 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -60.08 -44.62 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.06 -44.72 68.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.69 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.15 -43.29 87.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.776 0.322 . . . . 0.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.519 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 68.0 t80 -66.31 -36.99 84.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.59 -33.77 60.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.99 -35.13 79.16 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -70.69 -24.15 62.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.515 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 78.4 mm-40 -73.42 86.06 1.52 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -87.75 103.18 15.37 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 72.6 154.36 0.14 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.89 -173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.67 16.85 10.61 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.934 0.397 . . . . 0.0 111.332 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.04 -21.73 66.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.878 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -62.61 -31.19 71.98 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.999 0.428 . . . . 0.0 110.597 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.03 -38.56 72.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.165 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.17 -33.72 76.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.481 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.85 83.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.286 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -72.01 -40.93 68.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.657 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.52 -36.73 84.73 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -33.75 85.17 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.097 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 2.1 mp0 -65.05 -38.98 92.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.7 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -68.0 -45.83 72.99 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.92 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.723 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -62.54 -35.85 80.74 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 93.7 mt -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.521 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.88 -45.19 82.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.73 -37.68 88.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -64.2 -36.58 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.477 ' HA ' HD11 ' A' ' 90' ' ' LEU . 70.3 t80 -66.33 -46.96 75.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -63.05 -40.29 97.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 111.175 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.84 -44.07 97.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.459 HD11 ' CE2' ' A' ' 75' ' ' PHE . 77.7 mt -68.83 -45.37 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.63 -37.14 86.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.189 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.81 -13.38 59.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.637 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.45 31.56 74.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.035 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.5 t70 -95.23 97.64 10.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -60.04 -33.06 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.33 -44.65 92.59 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.545 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -70.88 -35.64 72.43 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.467 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 93.7 mt -61.73 -49.72 75.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.57 -42.1 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.513 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -68.92 -37.55 78.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.206 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 75' ' ' PHE . 29.6 mt -61.69 -35.92 79.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.914 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 98.9 mt -59.13 -38.43 79.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.916 0.389 . . . . 0.0 110.092 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 40.1 tt0 -70.4 -45.29 66.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.859 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.03 -42.77 84.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.493 HD23 ' CD2' ' A' ' 17' ' ' PHE . 51.5 tp -62.19 -45.41 93.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.884 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.46 -37.64 88.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 76.3 mt-30 -60.26 -42.23 94.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 110.117 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.29 85.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.45 -39.14 92.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.14 -41.49 99.3 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.18 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.91 -46.75 67.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.922 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.91 -37.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -60.49 -46.83 88.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.28 -40.23 95.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.16 -41.48 85.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.238 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.69 -28.62 63.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.0 -20.74 57.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.07 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -175.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.63 -38.9 92.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.393 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -62.87 -43.15 99.57 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.488 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.706 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.3 mt-30 -61.74 -47.94 82.94 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.983 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 m -69.82 -44.4 70.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.778 0.323 . . . . 0.0 111.482 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.44 -39.6 96.5 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.507 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.75 -36.08 75.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.248 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.706 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 55.0 mt-10 -60.71 -38.01 83.62 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 110.427 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.02 -47.63 85.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 51.9 t -60.73 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.431 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 80.1 mt-30 -61.63 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.032 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.29 74.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.716 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 94' ' ' LEU . 20.0 m-85 -62.42 -38.25 88.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 84.0 mm-40 -61.51 -43.21 99.28 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.407 177.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 6.5 mpt_? -69.37 -32.59 71.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -59.41 -42.7 92.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.756 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -65.21 -38.66 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.79 -45.52 94.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.505 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.1 mt -67.1 -39.53 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.354 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -60.89 -39.93 91.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.9 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.65 -32.91 74.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.68 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -82.26 -17.84 44.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 0.0 110.895 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.94 25.49 64.37 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.106 -0.569 . . . . 0.0 113.172 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.56 91.8 8.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.93 0.365 . . . . 0.0 110.262 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.44 -44.18 89.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.043 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.44 -44.04 97.37 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.071 0.462 . . . . 0.0 110.923 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -71.63 -32.95 68.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.612 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.56 -47.23 84.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.4 -36.03 82.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.15 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 tm0? -59.06 -40.4 85.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.396 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 39' ' ' ILE . 61.5 t -69.55 -36.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.31 -36.64 78.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.617 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.98 -40.81 91.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.938 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 mm-40 -64.0 -43.15 96.54 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.213 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.2 mm -59.82 -39.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.307 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.42 -41.55 89.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.507 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 87.5 mt-10 -68.21 -40.46 82.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -64.59 -40.38 95.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.172 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 39' ' ' ILE . 97.6 mt -60.24 -41.57 87.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 110.135 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.75 -36.65 84.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.012 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 62.1 mtpt -61.55 -44.46 97.0 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.482 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.95 -42.16 97.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.472 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -66.88 -38.66 86.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.702 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -63.65 -40.24 96.34 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.111 0.481 . . . . 0.0 110.173 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 95.0 mt -68.42 -38.12 80.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.943 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -67.21 -39.08 86.25 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 15.2 t70 -64.28 -33.98 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.443 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.12 -36.87 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.332 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -75.32 -40.18 58.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.884 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 6.3 tp-100 38.96 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.241 1.017 . . . . 0.0 112.623 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -110.63 24.41 13.0 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 120.952 0.406 . . . . 0.0 111.415 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.66 13.16 6.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.03 65.03 6.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.245 0.545 . . . . 0.0 109.941 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.73 -42.95 73.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.49 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -65.74 -41.86 91.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.61 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.8 tt0 -68.95 -41.62 77.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.462 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.1 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.05 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.209 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -63.1 -45.0 94.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.06 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 11.5 pt20 -75.41 -37.67 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.075 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -68.48 -46.62 61.9 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.716 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.72 -41.91 98.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.409 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.402 ' HE1' ' CD1' ' A' ' 43' ' ' ILE . 73.7 t-105 -66.79 -40.24 88.07 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -63.61 -42.78 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.2 -44.97 93.86 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.09 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -65.02 -38.99 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.84 -45.33 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.233 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -62.57 -39.94 95.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.026 0.441 . . . . 0.0 110.381 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.447 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 t80 -63.74 -44.63 92.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.769 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -42.79 99.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.074 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.3 -46.86 88.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.715 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.64 83.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.361 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.7 mt -64.98 -41.19 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.92 0.39 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.19 -35.87 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.975 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.57 -13.55 57.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.99 31.45 66.83 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.962 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -96.97 96.33 8.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.904 0.383 . . . . 0.0 110.38 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -70.28 -24.86 63.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.334 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.63 -46.55 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.462 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.8 p -71.21 -39.5 71.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.555 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 96.7 mt -59.36 -41.27 88.85 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.95 -47.1 83.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.554 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.4 mt -63.93 -41.01 97.76 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.666 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.2 mt -61.32 -44.59 96.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.414 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.96 -45.52 92.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.748 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.89 -33.59 72.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.27 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.356 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.84 -44.77 93.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.258 0.551 . . . . 0.0 110.42 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.12 -36.54 82.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.892 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.66 -38.08 88.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.8 mt -62.52 -37.72 87.17 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.131 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.16 -44.67 94.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.953 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.0 mttp -63.55 -43.31 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.68 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.4 mt -59.83 -43.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 19.3 mtp180 -62.3 -39.01 91.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.656 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 107' ' ' LYS . 46.8 mt-10 -69.13 -39.62 78.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.792 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 82.9 mt -66.39 -40.14 89.46 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.582 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.76 -24.1 66.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -86.8 -10.5 53.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.202 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 27.3 mtpp . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.907 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 CA--C 1.514 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' CD2' ' HD3' ' A' ' 53' ' ' ARG . 46.1 tp -70.57 -36.25 73.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.74 -42.61 85.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.062 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 48.7 tt0 -65.52 -46.11 80.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.2 m -69.47 -36.42 76.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.36 -40.06 98.56 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.58 -40.93 98.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 42.6 mt-10 -60.85 -43.74 97.92 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.66 -48.16 83.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.628 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 95.7 t -64.55 -42.54 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -62.34 -40.79 97.53 Favored 'General case' 0 N--CA 1.419 -1.987 0 C-N-CA 122.784 0.433 . . . . 0.0 110.425 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.83 99.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.5 m-85 -66.13 -39.37 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 76.4 mm-40 -63.88 -36.66 84.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 109.939 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 23' ' ' ILE . 19.1 tpp180 -66.57 -40.82 89.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.02 -39.05 88.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.372 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 17' ' ' PHE . 22.6 mtp180 -59.28 -44.53 92.46 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.307 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -64.93 -38.46 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 19' ' ' ARG . 79.4 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.186 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CE1' HD13 ' A' ' 87' ' ' LEU . 71.2 t80 -67.14 -38.79 86.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.626 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.71 -35.15 77.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.583 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -94.48 -6.83 43.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.008 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 28.84 55.23 Favored Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.934 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' HB3' HG22 ' A' ' 23' ' ' ILE . 11.0 t70 -86.36 93.46 9.11 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.325 0.584 . . . . 0.0 110.466 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.73 -43.91 74.95 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.97 -46.38 89.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . 97.8 p -72.6 -31.1 64.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.453 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.68 -46.24 87.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -174.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -39.79 95.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.865 0.364 . . . . 0.0 111.156 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.8 -43.8 78.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.1 t -62.59 -36.66 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.793 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.64 -41.44 94.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.319 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.29 -38.03 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.475 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -67.53 -39.09 85.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.495 ' O ' HG13 ' A' ' 43' ' ' ILE . 66.0 mt -61.63 -37.7 78.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 176.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.38 -43.17 88.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.957 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.99 -37.25 86.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.649 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.73 -40.23 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.348 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -60.47 -38.49 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -62.31 -46.24 89.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.792 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.05 -45.43 93.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.299 0.571 . . . . 0.0 109.949 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.622 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -66.45 -34.43 77.93 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.19 -44.79 96.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.78 -37.4 65.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.274 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.72 -48.88 73.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -67.09 -24.2 65.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -80.3 -35.88 35.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.419 ' HD3' ' CD2' ' A' ' 6' ' ' LEU . 43.6 mtp180 -68.75 -39.28 80.38 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.684 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -158.54 143.43 16.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.03 126.65 40.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.47 157.52 17.0 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.583 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -72.09 166.78 21.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.255 178.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.32 -42.25 95.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.176 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -69.74 -42.11 74.35 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.033 0.444 . . . . 0.0 110.506 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' A' ' 57' ' ' ALA . 1.2 mp0 -66.86 -45.72 77.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.395 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.95 86.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.27 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.19 71.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.933 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.74 -44.33 90.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.699 0.285 . . . . 0.0 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -75.72 -40.0 56.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.992 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -65.21 -44.62 93.58 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.604 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.3 -40.0 92.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.51 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.89 -42.64 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.639 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -67.51 -47.77 69.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 65' ' ' GLY . 76.3 t -61.1 -38.95 80.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -44.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.568 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.7 -44.91 96.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.339 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -65.42 -46.06 81.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.043 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.02 -46.51 81.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.521 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -68.5 -38.51 81.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' O ' HG13 ' A' ' 79' ' ' ILE . 85.5 t80 -61.73 -49.82 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.106 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -68.26 -35.7 78.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.956 0.408 . . . . 0.0 111.209 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.27 -42.46 99.36 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.658 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -35.15 78.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.038 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.9 mt -61.0 -38.08 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.107 0.48 . . . . 0.0 109.903 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -27.69 69.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -93.91 -13.41 27.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.555 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.3 22.32 78.55 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.19 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.424 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 28.8 t70 -87.26 91.07 8.59 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.167 0.508 . . . . 0.0 110.812 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 87' ' ' LEU . 22.2 ptmt -64.66 -24.2 67.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.262 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.66 -49.56 76.09 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 37.9 m -71.96 -39.79 69.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.585 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 HD13 ' CE1' ' A' ' 24' ' ' PHE . 97.4 mt -59.29 -48.37 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -175.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.679 0.276 . . . . 0.0 111.383 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 52.7 tt0 -69.79 -43.66 71.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.075 0.465 . . . . 0.0 110.235 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.2 mt -61.1 -33.46 73.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.35 -44.0 83.93 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 110.643 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -70.38 -38.28 74.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.996 0.427 . . . . 0.0 110.672 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 7.2 mm-40 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 17' ' ' PHE . 52.8 tp -66.48 -39.9 89.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.361 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.94 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.335 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.05 -35.83 80.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.807 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.0 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.3 mt -62.81 -43.77 97.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 110.45 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -70.29 -35.76 73.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.807 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -61.63 -46.04 91.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.15 -40.82 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.608 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -60.88 -39.46 89.31 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.85 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -63.35 -42.35 98.91 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.352 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.78 -34.58 73.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.41 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.34 -31.58 64.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.06 -22.71 17.73 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.293 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt . . . . . 0 N--CA 1.439 -1.004 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.18 -173.449 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 49' ' ' LEU . 69.3 mt -72.43 -44.69 62.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.574 . . . . 0.0 109.753 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.546 ' HG3' ' OE2' ' A' ' 106' ' ' GLU . 49.1 ttp180 -70.2 -47.02 63.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.455 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 10.0 mm100 -63.84 -39.23 93.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.1 m -62.38 -45.56 92.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.675 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -39.99 97.02 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.072 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 44.5 mt-10 -60.15 -41.35 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.876 0.37 . . . . 0.0 110.023 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.39 -47.69 84.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.43 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 43.6 t -59.89 -45.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.764 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.38 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -67.94 -37.31 81.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.856 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 79.4 mm-40 -61.35 -41.15 96.6 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.812 0.339 . . . . 0.0 110.241 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -67.81 -37.22 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.71 -38.17 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.434 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -58.34 -43.87 88.48 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.009 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.5 -43.19 90.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.7 -45.95 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.335 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 87' ' ' LEU . 49.1 t80 -64.57 -38.9 92.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.507 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.46 -35.45 77.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -88.67 -16.59 31.95 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.73 27.07 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.614 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.94 90.6 8.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.134 0.492 . . . . 0.0 110.009 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.04 -28.26 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.155 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.59 -51.67 68.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.219 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 m -72.79 -31.49 64.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.1 -44.3 94.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.86 -36.85 72.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.446 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -63.25 -36.17 82.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.971 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 39' ' ' ILE . 60.5 t -62.34 -37.16 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.832 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.69 -37.1 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.911 0.386 . . . . 0.0 110.807 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.3 mm-40 -69.62 -43.06 73.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.816 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.12 -42.19 89.53 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -60.41 -38.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 7.3 tp10 -59.22 -46.03 89.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 31.1 mt-10 -59.28 -46.48 88.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.6 -40.58 92.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.774 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.3 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 67.6 mm-40 -62.97 -36.53 83.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.689 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 54.6 mtpt -61.6 -44.61 96.69 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -62.06 -39.38 92.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -61.12 -42.39 98.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.24 -41.24 94.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.499 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.0 mt -64.8 -45.04 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.67 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -72.06 -36.2 69.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.6 -31.59 70.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -59.88 -32.13 70.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.675 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.01 162.52 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 64.7 12.53 7.67 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.16 0.584 . . . . 0.0 111.481 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.34 116.09 28.31 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.396 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 125.98 25.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.06 -27.37 68.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -59.19 -42.39 90.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.189 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.51 -40.64 73.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.7 99.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.4 -43.28 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.97 -45.4 89.26 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.804 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -73.84 -39.97 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.556 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.08 -44.65 96.96 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.778 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.586 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 18.6 t70 -61.76 -40.84 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.608 0.242 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.19 -39.79 94.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -66.97 -43.42 83.1 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.516 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 87.3 t -60.93 -39.37 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 80.3 mm-40 -62.74 -35.41 79.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.182 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -66.19 -39.75 89.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.1 -43.52 78.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.397 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 14.1 mm100 -62.98 -45.04 94.28 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.208 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -59.87 -43.13 94.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.195 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' A' ' 79' ' ' ILE . 74.9 t80 -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -64.26 -42.72 96.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.52 -39.76 89.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.394 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.42 90.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.412 HD12 ' CE2' ' A' ' 75' ' ' PHE . 64.0 mt -68.46 -43.35 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.314 0.578 . . . . 0.0 109.668 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.51 -37.16 84.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.335 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -81.87 -13.33 57.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.042 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.66 30.92 65.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.959 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.21 97.04 7.18 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.825 0.345 . . . . 0.0 110.707 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 17.0 pttp -68.43 -25.42 65.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.317 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -48.63 78.95 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.552 0.215 . . . . 0.0 111.161 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.534 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 12.1 p -70.99 -36.19 72.39 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.583 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 84' ' ' LYS . 84.7 mt -59.49 -44.28 93.11 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 84.9 mt-10 -58.32 -45.57 87.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.28 -40.11 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.841 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 86' ' ' SER . 91.9 mt -63.11 -36.2 82.79 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.626 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.52 -37.04 74.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.716 0.294 . . . . 0.0 111.419 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.85 -45.44 67.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.2 -36.11 74.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.67 -45.5 93.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.811 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.7 tt0 -59.13 -41.18 87.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.818 0.342 . . . . 0.0 110.79 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -63.8 -36.13 82.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.46 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -61.69 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.32 -37.27 86.61 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.948 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 74.4 mm-40 -64.49 -41.81 96.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.19 -44.71 95.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.406 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 97' ' ' ALA . 80.5 mt -61.9 -45.79 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.351 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.453 ' HE ' ' CD ' ' A' ' 106' ' ' GLU . 53.6 ttt180 -60.86 -36.4 79.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.8 mt-10 -60.41 -40.62 91.63 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.704 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.51 -37.58 80.17 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.011 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.07 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.015 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.546 ' OE2' ' HG3' ' A' ' 7' ' ' ARG . 57.1 mt-10 -91.25 -22.45 20.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.736 0.303 . . . . 0.0 111.548 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt . . . . . 0 C--N 1.318 -0.789 0 CA-C-O 120.969 0.414 . . . . 0.0 110.862 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.261 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' HG ' HH11 ' A' ' 53' ' ' ARG . 6.7 tt -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -66.84 -42.04 86.42 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 76.2 mm-40 -64.34 -44.27 92.02 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.674 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -60.73 -42.63 97.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.796 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.26 -40.68 92.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 15.1 t70 -65.23 -46.34 81.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.9 mt-10 -65.06 -35.26 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.35 -43.83 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.1 -38.38 80.73 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.306 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 98.6 mt-30 -60.08 -37.86 81.16 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.38 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.369 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -68.55 -38.92 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -63.72 -38.48 91.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.844 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' NH1' HG21 ' A' ' 35' ' ' VAL . 12.4 ttm180 -66.82 -38.41 86.4 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 tp -61.48 -39.19 90.01 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.03 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -60.75 -41.36 95.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.196 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.2 mm-40 -63.85 -43.75 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.093 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.36 -40.73 89.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.295 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.39 -39.69 88.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.74 -34.08 77.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.321 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 66.7 mmtt -89.49 -17.11 29.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 27.2 67.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.378 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -86.09 93.3 8.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.171 0.51 . . . . 0.0 110.889 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.75 -29.31 69.81 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -66.38 -50.63 62.83 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 p -71.77 -30.2 65.31 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.07 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -58.89 -46.49 87.73 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.57 -39.99 93.14 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.04 0.447 . . . . 0.0 110.837 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.34 -45.12 77.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.83 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.432 HG21 ' NH1' ' A' ' 19' ' ' ARG . 67.5 t -64.06 -35.11 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.8 mt -60.59 -36.37 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 177.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -40.9 93.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.669 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.9 mt-10 -62.67 -45.63 91.92 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.5 mt -59.62 -39.98 80.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.342 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.76 -45.21 94.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.564 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.54 -43.64 89.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.931 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 92.0 mt -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.2 mt -60.5 -40.94 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -64.95 -47.62 76.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.72 -44.38 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.48 ' CD2' HH22 ' A' ' 53' ' ' ARG . 53.2 t-80 -62.42 -36.99 84.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.351 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -62.61 -43.45 98.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.708 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -66.39 -39.43 89.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 0.0 110.327 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.28 -33.8 76.06 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.057 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.38 -36.49 76.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HB2' ' HB1' ' A' ' 56' ' ' ALA . 26.2 t0 -64.46 -39.27 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.08 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -74.68 -33.15 62.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.758 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.48 HH22 ' CD2' ' A' ' 46' ' ' HIS . 89.0 mtm180 -75.41 -37.82 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.696 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -140.83 -78.48 0.28 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.66 140.53 0.35 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.108 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -160.54 90.83 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.002 0.429 . . . . 0.0 111.367 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.93 149.44 28.21 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.65 0.262 . . . . 0.0 111.0 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 m -60.51 -42.34 96.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.05 -44.92 60.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.49 96.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.84 86.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.666 0.27 . . . . 0.0 111.693 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HB2' ' HZ1' ' A' ' 63' ' ' LYS . 4.8 ttmp? -72.56 -44.91 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.92 -33.88 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.11 0.481 . . . . 0.0 110.77 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -34.32 87.72 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.825 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.94 -40.76 90.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.659 0.266 . . . . 0.0 110.808 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.42 -38.13 71.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -65.98 -45.94 79.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.29 -38.07 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.26 -29.6 70.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.729 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.95 -40.46 95.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.281 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -67.53 -37.99 83.55 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.116 0.484 . . . . 0.0 109.982 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.61 -41.78 92.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.117 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -65.91 -36.71 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.665 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.8 t80 -60.26 -46.36 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.519 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -61.69 -42.72 99.32 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.4 -44.94 95.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.718 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.28 93.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -65.17 -45.33 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.054 177.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -36.85 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.092 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -77.94 -14.86 59.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.574 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.37 31.31 71.34 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.561 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.569 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.8 t70 -94.39 96.64 9.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.023 0.44 . . . . 0.0 110.328 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -66.39 -28.66 68.8 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.886 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.42 -49.31 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.446 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 20.2 m -65.9 -34.76 78.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.19 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.5 mt -59.64 -48.28 82.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.794 0.331 . . . . 0.0 110.714 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.22 -44.78 94.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.38 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.87 -39.2 93.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.611 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.8 mt -65.06 -36.86 85.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.48 -35.84 82.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.71 -44.86 88.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.96 -42.95 99.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.992 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 61.6 tp -61.48 -43.49 98.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.78 -46.91 86.44 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.596 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.01 -41.14 87.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.904 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.18 -42.92 99.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.8 mt -63.15 -36.99 85.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 110.397 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 44.7 tt0 -63.04 -45.23 93.21 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.555 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.2 mt -60.6 -44.23 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 39.6 mtm180 -61.63 -43.94 97.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.181 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 9.6 mm-40 -61.08 -41.26 96.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.84 -35.1 67.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.98 0.419 . . . . 0.0 110.656 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.466 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . . . -68.03 -28.52 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.075 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.47 -2.02 58.24 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.583 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt . . . . . 0 N--CA 1.471 0.604 0 C-N-CA 123.884 0.874 . . . . 0.0 110.698 -178.028 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.73 -29.5 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.222 0.534 . . . . 0.0 109.619 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -61.59 -38.91 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -67.79 -45.39 74.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 86.8 m -70.52 -41.31 72.74 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.563 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 -45.17 96.39 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 t70 -67.51 -35.79 79.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.015 0.436 . . . . 0.0 110.059 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.48 -39.25 83.12 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 9' ' ' THR . 51.2 mt -62.53 -46.25 89.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.5 t -60.2 -40.36 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 74.9 mm-40 -62.16 -43.49 98.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.963 0.411 . . . . 0.0 110.276 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.82 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.896 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.403 ' CD2' HD23 ' A' ' 94' ' ' LEU . 29.0 m-85 -66.28 -37.81 86.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.332 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 76.7 mt-30 -60.96 -43.28 98.99 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 22' ' ' GLU . 26.9 mmt180 -65.22 -38.93 91.97 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.47 -43.67 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.305 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -65.46 -38.7 90.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 51.5 mt-10 -60.48 -44.14 96.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CD1' HG23 ' A' ' 35' ' ' VAL . 76.8 mt -65.08 -39.25 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.467 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -64.7 -46.73 81.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.59 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.129 0.49 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -77.77 -17.88 57.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.162 178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 26.31 59.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.768 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -98.29 92.41 5.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.25 -40.34 74.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.58 -46.61 87.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.498 ' O ' HG21 ' A' ' 35' ' ' VAL . 22.3 m -70.84 -33.25 70.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.407 178.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.9 tp -60.95 -46.43 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.774 -177.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -40.11 93.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.405 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.96 -39.68 83.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.631 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 31' ' ' SER . 90.7 t -62.51 -32.99 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.555 177.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.1 mt -59.28 -36.5 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.183 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 27.3 mt-10 -67.35 -36.41 81.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.124 0.488 . . . . 0.0 109.959 177.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.8 mt-10 -64.3 -39.99 95.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.7 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.488 ' O ' HG13 ' A' ' 43' ' ' ILE . 47.3 mm -59.53 -38.0 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.296 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' OE2' ' HA ' ' A' ' 37' ' ' GLU . 43.7 mt-10 -58.28 -45.76 87.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -65.26 -40.73 94.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.3 mt -61.33 -46.34 96.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.067 0.461 . . . . 0.0 110.175 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 52.8 tt0 -67.64 -36.71 81.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.212 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.13 -42.49 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.606 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.1 -38.66 89.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.133 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -67.34 -32.4 73.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.0 mt-30 -61.38 -44.17 97.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.58 -34.64 76.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.37 -40.34 97.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.92 -39.59 72.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -66.02 -41.42 90.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.309 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -75.54 -38.56 59.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.176 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 62.2 90.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.469 0.652 . . . . 0.0 110.007 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -110.0 98.52 7.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.292 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.54 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.711 0.805 . . . . 0.0 112.977 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.61 129.97 10.55 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.836 0.351 . . . . 0.0 111.658 -176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.05 -33.5 75.58 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.097 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 t -58.15 -28.26 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.716 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.38 -44.67 62.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.17 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.61 73.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.158 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.67 -43.11 66.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.885 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -68.98 -44.52 72.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.734 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.53 -30.23 65.68 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.425 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -62.38 -36.07 92.58 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.904 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.38 -40.96 96.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.215 0.531 . . . . 0.0 109.837 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -67.51 -42.46 82.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.043 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.54 -49.59 68.35 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.194 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 95.8 t -61.69 -38.87 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.29 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.79 -43.68 98.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.227 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -63.34 -41.7 98.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 48.8 mt-30 -62.33 -38.91 91.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.008 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -59.34 -40.18 85.55 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 110.426 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.51 -42.58 98.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.121 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -65.92 -42.82 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 58.4 mm-40 -61.02 -42.89 99.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.29 94.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.06 -42.32 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.043 0.449 . . . . 0.0 110.35 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.08 -33.05 74.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 66.1 mttm -89.09 -5.72 57.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.82 30.6 70.32 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.748 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -94.79 96.65 9.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.01 0.433 . . . . 0.0 109.838 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.56 -33.54 71.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.855 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.24 -45.25 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.746 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.519 ' O ' HD22 ' A' ' 90' ' ' LEU . 31.6 m -63.03 -34.26 77.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.0 mt -59.08 -43.68 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -42.53 95.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.039 0.447 . . . . 0.0 110.033 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -62.77 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.275 0.56 . . . . 0.0 109.7 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 86' ' ' SER . 3.0 mm? -63.13 -45.57 91.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.806 177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 97.0 mt -61.67 -35.5 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.22 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.96 -44.86 88.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.11 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.69 -37.58 88.07 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.062 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 17' ' ' PHE . 53.5 tp -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.941 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.59 -45.51 92.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.208 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.11 -37.3 86.96 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.18 86.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.325 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.17 -36.42 83.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 5.6 tp-100 -63.13 -44.11 96.49 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.832 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.39 -46.43 90.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.752 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.41 -42.25 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.62 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 6.4 tpt180 -60.89 -41.61 96.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 10.8 mm-40 -59.75 -44.87 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.61 -33.78 64.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.318 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.22 61.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 58.4 mm-40 -73.32 -24.46 60.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.106 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 N--CA 1.477 0.887 0 O-C-N 123.692 0.62 . . . . 0.0 111.722 -178.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.19 -37.56 66.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.837 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -63.08 -34.29 77.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.387 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 53.7 tt0 -61.06 -44.51 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.393 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -65.76 -38.91 90.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.72 -39.7 95.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.557 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.23 -38.54 91.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 78.9 mm-40 -60.62 -40.68 92.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.84 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.95 -43.32 98.87 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.489 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.95 -45.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.246 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.26 -46.09 85.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.54 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.56 95.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' HD12 ' A' ' 98' ' ' LEU . 31.9 m-85 -67.7 -39.45 84.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.51 -38.14 86.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.431 ' O ' HG13 ' A' ' 23' ' ' ILE . 28.9 ttt180 -62.4 -41.81 98.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.304 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.56 -44.95 95.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -62.66 -43.81 97.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.743 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 40.2 mt-10 -61.3 -43.2 99.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 35' ' ' VAL . 94.7 mt -65.18 -40.86 90.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.994 0.426 . . . . 0.0 110.292 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -60.72 -41.71 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.767 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.92 -31.5 72.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.821 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 62.6 mtpt -78.21 -13.04 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.16 27.01 64.94 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.507 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' HG21 ' A' ' 23' ' ' ILE . 10.1 t70 -97.38 92.62 6.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.185 0.517 . . . . 0.0 110.143 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.558 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.8 -50.89 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.307 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' HG21 ' A' ' 35' ' ' VAL . 12.5 m -71.71 -30.17 65.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.957 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -59.28 -47.17 86.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.723 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.64 -37.82 87.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.985 0.421 . . . . 0.0 110.691 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 mm100 -62.12 -40.41 95.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 31' ' ' SER . 51.3 t -69.28 -36.18 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.0 mt -60.3 -40.8 91.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.39 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.401 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 52.7 mt-10 -62.14 -42.42 99.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.315 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 35' ' ' VAL . 43.7 mm -59.69 -40.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.613 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 47.1 mt-10 -60.56 -40.65 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.7 tp10 -70.0 -42.3 73.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.176 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.7 mt -61.36 -43.55 98.68 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 89.9 mt -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -62.15 -40.75 97.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.009 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 61.0 mtpt -64.25 -44.02 93.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.357 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 78.8 mtp180 -61.33 -41.78 97.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.268 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.69 -44.03 97.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.08 -42.02 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.341 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -66.41 -43.27 86.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.078 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.73 -31.25 71.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 110.728 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -78.91 -25.95 43.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -61.02 -38.67 86.89 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.984 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -152.85 132.12 12.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.042 0.449 . . . . 0.0 110.726 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.12 163.22 14.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.03 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 67.44 23.36 9.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.634 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.77 25.08 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.953 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.45 -38.64 84.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.479 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 t -64.51 -39.35 93.63 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.738 0.304 . . . . 0.0 111.449 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -71.65 -39.64 70.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.212 0.53 . . . . 0.0 109.878 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.86 76.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.297 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.76 71.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.721 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.66 -44.34 96.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -74.74 -43.16 56.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -46.7 66.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.234 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.778 0.289 . . . . 0.0 111.549 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.92 -43.98 86.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -68.8 -47.93 64.88 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.472 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 72.6 t -61.26 -44.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.635 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 52.5 tt0 -65.88 -40.89 92.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.447 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.21 -40.26 95.5 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.011 0.434 . . . . 0.0 109.952 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -65.97 -40.68 91.47 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.784 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.48 -35.54 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.314 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 44.3 mmm-85 -63.78 -35.6 81.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.423 ' O ' HG12 ' A' ' 79' ' ' ILE . 73.5 t80 -61.32 -44.44 97.19 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.011 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.88 -43.7 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.99 81.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.399 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 75' ' ' PHE . 37.2 mm -65.97 -46.63 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.323 0.582 . . . . 0.0 109.865 176.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.98 -36.9 85.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.367 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -87.21 -13.61 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 30.62 61.61 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.412 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.0 t70 -88.31 87.68 7.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.245 0.545 . . . . 0.0 109.853 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HA ' HD11 ' A' ' 87' ' ' LEU . 65.6 tttp -66.63 -26.17 66.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.864 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.05 -48.75 80.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.1 m -71.48 -34.61 70.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.707 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.8 mt -59.5 -45.01 92.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.564 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 68.5 mm-40 -57.24 -44.11 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 0.0 110.775 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -69.6 -47.29 64.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.123 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 94' ' ' LEU . 96.1 mt -62.21 -36.8 83.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.094 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 86.1 mt -58.9 -42.34 89.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.36 -44.95 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.22 -44.35 92.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.6 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -63.61 -44.27 94.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.16 -39.63 94.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.93 -42.12 85.87 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.05 -36.93 83.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.5 mt -62.15 -35.19 78.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.21 -44.38 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 66.2 mttm -64.83 -40.55 95.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 97' ' ' ALA . 75.9 mt -60.01 -43.5 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.316 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -62.5 -39.4 93.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.31 -42.82 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -63.94 -29.1 70.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.94 -15.01 63.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -91.68 -2.65 56.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.521 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mttp . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.14 -35.82 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.988 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HD3' ' OE2' ' A' ' 106' ' ' GLU . 12.4 mmm180 -62.63 -45.21 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.63 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.34 -40.86 73.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.4 m -61.02 -39.7 90.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.015 0.436 . . . . 0.0 110.12 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.9 -40.29 97.13 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.27 176.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 28.9 t70 -63.17 -41.56 99.25 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.511 0.196 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.33 -42.02 90.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.91 -48.3 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.471 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 10' ' ' GLY . 84.6 t -58.96 -44.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.61 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 12.9 mm100 -61.59 -43.79 98.2 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.884 0.374 . . . . 0.0 110.635 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.75 87.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD2' HD22 ' A' ' 94' ' ' LEU . 28.4 m-85 -63.41 -37.44 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.146 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 98.4 mt-30 -61.0 -44.57 97.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.306 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 23' ' ' ILE . 61.6 mtm-85 -69.94 -35.25 74.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.396 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.3 -38.59 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.562 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -45.93 87.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.569 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.7 -45.51 68.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.505 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.1 mt -59.62 -44.75 94.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.992 0.425 . . . . 0.0 110.382 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 87' ' ' LEU . 22.4 t80 -64.11 -45.62 87.8 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.227 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.51 -32.89 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -78.28 -8.78 58.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.627 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 26.88 70.77 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.951 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.84 91.9 8.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.59 -26.28 64.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.15 -51.38 69.97 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.517 ' O ' HG21 ' A' ' 35' ' ' VAL . 8.0 m -74.51 -35.11 63.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 28.0 tp -60.41 -47.43 86.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.458 -173.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.82 -43.68 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 111.741 -178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -68.72 -40.05 80.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.75 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 31' ' ' SER . 86.8 t -65.79 -36.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.365 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.1 mt -59.85 -40.56 88.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.033 0.444 . . . . 0.0 110.296 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.9 -38.73 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.354 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.9 mm-40 -60.69 -43.86 97.25 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' ILE . 92.3 mt -61.34 -38.26 79.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.25 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.552 ' HG2' HE22 ' A' ' 44' ' ' GLN . 26.2 tt0 -61.96 -42.56 99.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.64 -37.8 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.578 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 50.7 mt -67.51 -39.54 85.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.691 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -61.04 -35.49 65.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.795 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.552 HE22 ' HG2' ' A' ' 40' ' ' GLU . 1.1 mp0 -60.8 -35.65 77.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.899 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.01 -44.84 96.82 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -60.64 -44.66 96.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.07 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 32.8 mtt180 -60.51 -42.33 96.17 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.124 0.488 . . . . 0.0 110.15 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.07 -44.31 72.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.568 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.99 -37.72 84.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.279 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -63.33 -45.2 92.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HA ' ' HB2' ' A' ' 57' ' ' ALA . 8.4 t70 -65.44 -40.52 93.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.525 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -70.81 -42.93 69.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.251 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -62.85 -37.62 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 0.0 111.545 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 25.2 mt-30 -81.31 -74.9 0.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.914 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 5.8 tp10 176.58 -68.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.08 93.49 2.45 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 60' ' ' GLU . . . -135.39 29.02 3.33 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.882 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.4 m -72.19 -43.51 64.42 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.625 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CG ' ' HB1' ' A' ' 57' ' ' ALA . 9.5 pt-20 -73.83 -31.35 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.058 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.15 86.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.64 91.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.687 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -66.01 -36.57 83.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -63.49 -43.01 98.47 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.534 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -69.31 -40.94 80.34 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.487 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 15.7 t70 -61.56 -41.52 97.49 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.751 0.42 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.03 -38.25 90.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.936 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -68.27 -36.69 79.78 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.672 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -62.22 -37.9 79.71 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.853 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 78.4 mt-30 -62.55 -31.83 72.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.81 -41.87 78.05 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.11 -34.07 77.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.301 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -60.02 -44.9 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.56 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.39 -44.6 92.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.864 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.5 t80 -64.17 -42.54 96.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.719 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 41.7 mt-10 -65.94 -38.81 89.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -35.85 78.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.745 0.307 . . . . 0.0 110.457 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 73.9 mt -65.69 -39.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.01 -36.99 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 58.5 mmtt -82.56 -12.99 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.535 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.98 73.31 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.243 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -96.85 96.37 8.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 110.53 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.0 tttp -68.9 -27.11 65.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.346 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.67 -49.26 78.43 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.37 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.559 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 29.7 t -69.49 -34.97 75.1 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 67.6 mt -61.66 -46.08 91.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.389 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 20.7 mm-40 -61.35 -42.17 98.26 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.16 0.505 . . . . 0.0 109.783 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -62.16 -42.75 99.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.549 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.5 mt -60.82 -36.65 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.52 -37.68 88.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.619 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.16 -45.03 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.22 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 109.626 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.645 HD22 ' CD2' ' A' ' 17' ' ' PHE . 60.3 tp -59.82 -45.38 92.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.38 -39.69 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.033 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -61.72 -39.93 93.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.927 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.459 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.88 -37.74 84.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.657 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 91.6 mt -62.89 -38.87 92.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.087 0.47 . . . . 0.0 110.176 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -62.73 -44.52 95.99 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.43 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -61.73 -41.73 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 97' ' ' ALA . 73.6 mt -63.21 -47.4 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.394 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 56.5 mtm180 -62.34 -46.64 87.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.72 -176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.1 mt-10 -65.55 -44.12 87.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.822 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.17 -41.67 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.43 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.471 ' OE2' ' HD3' ' A' ' 7' ' ' ARG . 15.8 tt0 -91.75 -24.52 19.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 111.278 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.0 tttm . . . . . 0 C--N 1.315 -0.892 0 CA-C-O 121.358 0.599 . . . . 0.0 111.804 -175.691 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.48 -32.77 66.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.049 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.61 -44.53 96.08 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.96 -38.57 86.34 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.232 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.5 m -60.73 -47.01 88.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.692 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.23 -40.29 92.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.875 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.32 -43.07 92.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 111.083 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.59 -34.6 75.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.732 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.43 -41.7 90.16 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.4 t -63.35 -45.67 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.821 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.64 -38.2 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.741 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.2 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.58 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CD2' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -67.39 -36.88 82.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.6 mm-40 -60.67 -42.71 97.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 19' ' ' ARG . 11.6 mmt180 -66.68 -35.29 79.78 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.352 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.55 -39.0 89.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.442 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 -62.54 -39.94 95.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.055 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.27 -46.46 90.28 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.98 0.419 . . . . 0.0 110.424 177.086 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.69 -44.42 99.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -61.83 -40.33 94.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.47 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.47 -34.58 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 29.0 mtpp -77.7 -16.82 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.47 26.11 66.41 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.408 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.73 92.6 9.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.6 -35.49 78.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.819 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.61 -51.13 71.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.293 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.1 m -72.48 -35.12 68.13 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 26.4 tp -61.36 -48.27 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.505 -175.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.46 -42.16 88.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.367 -0.379 . . . . 0.0 112.007 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -66.37 -41.71 89.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.945 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 31' ' ' SER . 69.0 t -62.29 -32.38 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.389 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.6 mt -58.3 -39.6 79.8 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.38 -42.28 83.63 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.359 0.6 . . . . 0.0 109.921 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.67 -40.65 97.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.384 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.8 mt -61.32 -40.0 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 178.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.9 -37.75 88.68 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.951 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -42.13 90.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.25 0.548 . . . . 0.0 109.622 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.07 -40.42 82.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.631 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.1 mt -61.09 -41.77 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.249 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.34 -37.01 84.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.006 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -63.41 -43.72 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.894 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.05 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.608 ' NH2' HE22 ' A' ' 64' ' ' GLN . 3.8 mmp_? -61.59 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.26 -45.08 70.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.92 -50.56 19.56 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -74.04 -49.06 25.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.3 m-20 -66.95 -24.66 66.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.71 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.67 -41.69 95.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -75.44 -31.24 60.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.478 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 67.84 -77.34 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.364 0.665 . . . . 0.0 111.625 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 71.04 -55.98 0.64 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.204 1.002 . . . . 0.0 111.383 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.54 -169.47 1.85 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.436 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.8 150.87 47.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.471 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.86 -37.52 84.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.394 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.5 m -66.05 -38.3 88.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.89 -40.37 72.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 109.815 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.96 68.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -64.68 -39.87 94.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.608 HE22 ' NH2' ' A' ' 47' ' ' ARG . 4.9 pp0? -63.16 -35.84 81.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.554 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.76 -41.72 63.01 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.34 -41.46 93.64 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.212 0.605 . . . . 0.0 111.717 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.38 -38.41 87.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -68.0 -39.92 83.11 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.9 t -60.84 -38.75 79.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.43 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.23 -43.09 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.158 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.59 -43.76 84.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.07 -43.28 99.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -62.68 -45.49 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.3 -38.04 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.5 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.496 ' HA ' HD12 ' A' ' 90' ' ' LEU . 70.1 t80 -66.44 -46.87 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.271 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.56 ' NH1' ' HA ' ' A' ' 77' ' ' GLU . 4.5 tmm_? -63.62 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.08 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.56 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 6.5 tp10 -60.69 -46.12 91.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.881 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.57 84.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.6 mt -65.95 -44.68 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.191 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -77.76 -14.82 59.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.29 31.59 71.71 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.678 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.9 t70 -100.92 96.9 7.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.145 0.498 . . . . 0.0 111.299 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -67.21 -25.18 65.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.198 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.4 -49.08 78.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -71.16 -36.86 72.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.557 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 92.6 mt -59.4 -45.13 92.35 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.421 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.25 -41.15 96.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.58 -40.99 72.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.416 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 75' ' ' PHE . 39.8 mt -60.64 -34.78 74.78 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.154 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.8 mt -58.02 -39.67 78.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.933 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.79 -44.52 66.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.1 -40.7 98.41 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.009 0.433 . . . . 0.0 110.4 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.579 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 54.7 tp -63.99 -45.16 90.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.1 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -56.25 -47.86 77.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.439 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -66.98 -39.15 87.12 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -63.21 -41.08 99.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.7 mt -62.96 -44.08 97.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.663 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 77.1 mt-30 -65.81 -40.18 91.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.777 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 85.1 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.7 mt -62.35 -46.19 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.684 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 57.5 ttp180 -63.59 -40.17 96.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.304 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 7.2 tp10 -61.18 -38.48 86.68 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 123.185 0.594 . . . . 0.0 110.336 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 93.5 mt -70.05 -41.32 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.56 -28.14 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.9 mt-10 -83.74 -2.41 56.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.2 tttp . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 111.198 179.533 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tptt . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.71 -34.92 76.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.259 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -61.75 -45.14 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.495 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.74 -39.22 73.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -64.2 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.498 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.61 95.53 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.116 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.259 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HA ' HE21 ' A' ' 15' ' ' GLN . 10.6 tp10 -60.95 -37.19 81.51 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.771 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.96 -44.35 94.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.207 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 62.8 t -66.51 -48.08 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.541 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 12' ' ' GLU . 23.1 pt20 -68.27 -38.75 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.816 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.0 93.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -67.4 -38.28 84.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.493 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 78.4 mm-40 -61.52 -40.76 95.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -61.99 -37.22 84.01 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.72 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -65.28 -39.11 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 49.6 mt-10 -65.66 -45.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 HD13 HG23 ' A' ' 35' ' ' VAL . 66.6 mt -66.41 -38.45 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.006 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.99 -39.63 86.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.006 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.07 -33.85 76.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.771 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 65.4 mttm -79.82 -18.25 51.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.24 26.97 64.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.313 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HB3' HG23 ' A' ' 23' ' ' ILE . 12.6 t70 -88.12 94.77 9.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.049 0.452 . . . . 0.0 110.584 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.1 -43.47 82.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.814 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.33 -51.4 70.11 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 111.811 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.462 ' O ' HG21 ' A' ' 35' ' ' VAL . 7.9 m -71.35 -32.56 68.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.69 -45.62 93.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.676 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.32 -40.34 97.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.49 -47.06 87.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 HG23 HD13 ' A' ' 23' ' ' ILE . 50.8 t -62.77 -35.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.908 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.93 -42.78 94.7 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.605 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 48.9 mt-10 -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.633 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.642 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.4 mt -64.43 -38.88 83.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.537 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.87 -39.26 90.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.446 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -62.3 -43.97 97.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.8 mt -63.17 -40.19 96.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 39' ' ' ILE . 69.5 mt -60.35 -41.88 88.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.46 -46.77 72.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.356 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 63.3 mttp -61.87 -44.16 97.38 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.605 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -58.18 -47.78 82.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -68.13 -43.49 78.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -69.05 -40.93 78.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.5 mt -61.59 -41.69 97.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -73.88 -44.88 53.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.685 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.0 -36.86 84.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.407 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -68.7 -43.9 75.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.423 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -76.06 -41.15 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 62.01 122.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.392 0.615 . . . . 0.0 111.998 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' CD ' ' HZ3' ' A' ' 107' ' ' LYS . 44.6 tt0 -134.45 -54.96 0.84 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.39 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.59 0.66 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.109 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.87 33.96 22.61 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -61.54 -42.27 98.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.953 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 m -65.28 -42.18 93.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.1 -43.94 70.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.64 91.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.555 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 5.5 tmtm? -70.0 -37.16 75.6 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -63.17 -41.31 99.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.79 -35.13 89.21 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.24 -40.92 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.043 0.537 . . . . 0.0 110.733 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -66.82 -35.82 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.166 0.508 . . . . 0.0 109.859 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.417 ' HE1' HG12 ' A' ' 43' ' ' ILE . 50.9 t-105 -63.42 -36.63 84.35 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.084 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 65' ' ' GLY . 65.3 t -62.55 -39.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.979 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.72 -39.16 93.2 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.09 -45.97 91.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.847 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -69.14 -39.11 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.648 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 62.4 tt0 -63.83 -43.22 96.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.124 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -61.72 -38.4 87.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 79' ' ' ILE . 75.5 t80 -61.23 -42.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.637 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -60.19 -45.11 94.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.76 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 52.1 mt-10 -62.63 -39.59 94.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.109 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.2 90.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' PHE . 72.0 mt -67.21 -40.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.245 0.545 . . . . 0.0 109.869 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.1 -37.58 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.281 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -84.28 -13.5 52.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.855 0.36 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.61 59.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -94.1 94.83 8.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.189 0.518 . . . . 0.0 110.283 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.09 -25.31 62.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.576 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.57 -48.28 82.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.3 m -65.64 -37.92 87.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 86.4 mt -59.91 -44.79 94.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.199 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -58.39 -43.15 88.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.595 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.92 -46.55 65.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 94' ' ' LEU . 95.3 mt -61.44 -36.48 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.478 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 81.9 mt -57.26 -39.42 75.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.624 0.25 . . . . 0.0 111.431 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.99 -42.57 69.46 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.728 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.37 -42.39 83.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.405 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 90' ' ' LEU . 10.6 mp -62.15 -38.7 90.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.966 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.84 -40.46 84.29 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.987 0.423 . . . . 0.0 111.017 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.34 -40.22 89.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.654 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.55 -37.77 85.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.52 -34.0 76.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.581 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 62.7 tt0 -63.81 -45.49 89.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.84 -42.29 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.486 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 97' ' ' ALA . 83.1 mt -61.74 -44.97 99.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.736 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttp-105 -63.01 -37.04 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.915 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 20.0 mm-40 -61.46 -39.3 90.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.372 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.78 -40.78 75.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.485 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.44 66.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HZ3' ' CD ' ' A' ' 55' ' ' GLU . 39.5 ttmt . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.656 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.01 -35.53 66.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.82 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -70.62 -33.21 70.76 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.976 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 17.7 tm0? -60.05 -37.33 79.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.463 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m -61.53 -44.38 97.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.88 -38.38 89.08 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.914 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 20.5 t70 -59.03 -38.43 79.29 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.008 0.523 . . . . 0.0 110.793 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 64.3 mm-40 -59.72 -41.22 90.37 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.67 -47.34 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.489 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.38 -46.08 89.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.148 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 15.0 mm100 -62.38 -40.57 96.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.752 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.01 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CD2' HD22 ' A' ' 94' ' ' LEU . 39.4 m-85 -67.67 -38.95 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 49.5 tt0 -61.52 -43.62 98.54 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -66.67 -38.74 87.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.099 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.44 -42.85 96.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.767 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -63.75 -41.68 97.97 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.29 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 61.9 mt-10 -62.41 -45.45 93.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.617 178.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.12 -41.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.672 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -64.49 -39.84 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.252 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.64 -34.41 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.332 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.45 -17.44 56.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.293 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.97 72.31 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.988 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.02 93.64 9.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 110.547 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.8 -26.95 68.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.799 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.19 -51.38 66.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -72.29 -32.77 66.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.7 tp -60.63 -45.7 93.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.512 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.62 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.959 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 78.2 mt-30 -63.63 -46.56 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.668 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -62.78 -35.39 70.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.198 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -59.96 -36.63 77.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.941 0.4 . . . . 0.0 110.281 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.53 -37.65 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.105 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 34' ' ' GLN . 5.6 mm-40 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.468 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 35' ' ' VAL . 91.6 mt -59.71 -37.28 70.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.294 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.64 -40.38 83.23 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.1 -43.42 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.74 -42.24 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 39' ' ' ILE . 92.1 mt -61.01 -45.09 99.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 178.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 48.3 tp60 -63.63 -43.83 95.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.881 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -62.64 -37.98 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.22 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -59.83 -41.59 91.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.252 0.549 . . . . 0.0 109.527 177.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 71.4 mtp180 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.681 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.1 mt-30 -61.37 -43.02 99.58 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.704 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.0 -44.87 95.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.578 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -73.92 -37.52 64.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.304 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.39 -39.64 77.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.23 -38.87 71.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.397 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 53' ' ' ARG . 46.8 ttp180 -72.92 -25.04 60.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.704 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 72.03 93.25 0.08 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.074 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -94.27 152.41 18.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.774 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.6 25.02 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.433 0.635 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.1 48.18 2.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.361 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.4 -42.81 99.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -66.58 -29.26 69.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 110.642 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -72.05 -45.05 62.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.84 85.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.352 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.12 99.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.672 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -72.39 -35.95 68.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.827 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -63.59 -43.55 96.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.66 -35.72 86.43 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.548 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -61.1 -44.29 97.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -73.86 -33.34 64.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.115 0.483 . . . . 0.0 110.637 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -66.29 -48.4 70.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.835 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.53 -38.64 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.361 . . . . 0.0 110.263 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -61.66 -38.25 87.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.961 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.328 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.35 -41.93 84.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.81 -45.19 94.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.487 . . . . 0.0 109.839 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -59.75 -42.94 94.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.19 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 79' ' ' ILE . 74.7 t80 -65.12 -44.51 88.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.671 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -64.07 -44.46 92.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.015 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.35 -39.46 94.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.263 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.01 81.6 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 110.579 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.454 HD11 ' CE2' ' A' ' 75' ' ' PHE . 74.0 mt -66.42 -44.97 90.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.916 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.56 -35.22 79.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -76.97 -14.44 59.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.95 27.92 71.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.492 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.65 96.07 7.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.087 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 87' ' ' LEU . 61.9 mttp -71.06 -25.92 62.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.458 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.19 -45.97 91.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -65.87 -37.77 87.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.963 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.9 mt -60.93 -40.25 92.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.454 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.16 -39.44 86.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.456 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -69.24 -40.89 77.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 75' ' ' PHE . 14.5 mt -61.02 -37.27 81.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.422 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.5 mt -59.75 -40.51 88.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.988 0.423 . . . . 0.0 110.596 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 36.0 mm-40 -70.01 -44.76 68.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.597 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.56 -34.99 79.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 17' ' ' PHE . 67.4 tp -62.71 -45.13 94.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.968 176.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.45 -41.4 94.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.087 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 94.1 mt-30 -65.66 -37.68 87.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -39.9 89.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.3 mt -63.44 -32.52 73.98 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.19 -42.4 93.64 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.427 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 60.2 mttm -67.18 -42.04 84.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.8 mt -60.24 -45.69 95.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.073 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 23.3 ttp180 -60.6 -46.38 90.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 6.0 mm-40 -60.77 -42.33 97.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.195 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 -41.81 62.88 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.9 -30.65 62.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 2.1 pt-20 -92.11 -21.74 20.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.642 -0.823 . . . . 0.0 112.029 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.472 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 13.6 mptt . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -66.2 -41.49 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -63.75 -38.92 92.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.008 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 57.1 tt0 -61.64 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.148 177.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -64.4 -42.94 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.015 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -60.75 -39.96 97.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.18 -36.58 77.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.729 0.411 . . . . 0.0 110.842 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 45.4 mt-10 -64.35 -43.76 93.57 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.25 -46.94 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.965 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 10' ' ' GLY . 93.3 t -57.68 -45.69 86.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.919 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -63.02 -43.59 98.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.201 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.39 84.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.57 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -68.37 -41.97 79.84 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.579 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 81.0 mt-30 -67.83 -35.78 79.2 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.445 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 23' ' ' ILE . 54.4 ttt180 -64.71 -37.06 86.31 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.1 tp -60.54 -40.13 90.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 56.0 ttp180 -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.047 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -61.77 -42.24 98.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.452 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' ARG . 74.8 mt -65.95 -39.89 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.076 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -62.11 -45.32 93.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.966 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.93 -29.72 68.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -77.32 -14.49 59.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.178 0.514 . . . . 0.0 110.122 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.38 63.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.922 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -98.75 93.34 6.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 117.315 0.558 . . . . 0.0 110.423 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.406 ' HA ' HD11 ' A' ' 32' ' ' LEU . 21.4 t70 -63.64 -34.38 77.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.023 -177.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -49.65 76.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.241 -178.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -67.53 -31.41 71.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.313 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 63.1 mt -60.37 -47.41 86.17 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.437 0.161 . . . . 0.0 111.064 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -63.49 -39.74 95.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.8 -46.74 88.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 39' ' ' ILE . 93.0 t -67.1 -36.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.4 mt -61.03 -37.86 84.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.309 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.18 -37.43 80.96 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -63.94 -38.89 92.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.1 mm -59.64 -37.51 71.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.74 -44.67 86.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.63 -42.86 91.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.48 . . . . 0.0 109.846 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.33 -39.97 94.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.06 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 39' ' ' ILE . 68.7 mt -59.87 -46.15 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.86 -35.87 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.516 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.05 -45.76 87.38 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -64.07 -43.27 95.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.813 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.461 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -60.89 -43.08 98.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.146 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -68.43 -43.88 76.18 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.353 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.02 -38.2 87.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.885 0.374 . . . . 0.0 111.05 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.469 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 20.1 t80 -71.31 -34.15 70.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.03 -40.74 52.78 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.567 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.46 -21.83 66.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 109.833 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 5.1 ttp85 -66.18 -38.05 87.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.422 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -165.25 93.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.26 -23.22 63.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.599 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.33 -12.21 61.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.127 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 35.97 4.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.648 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -20.28 62.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.115 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -58.86 -35.33 72.78 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.282 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 mt-10 -68.23 -40.65 82.0 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.305 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.91 99.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.139 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.33 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.53 -35.66 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.672 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 78.3 mm-40 -65.51 -41.13 93.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 109.978 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.524 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -64.44 -35.94 92.57 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.13 -40.81 95.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -67.18 -42.21 84.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.058 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -60.65 -51.13 70.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.296 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 65' ' ' GLY . 88.3 t -59.51 -42.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.813 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -62.73 -45.3 93.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.43 -46.71 63.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.775 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.97 -46.22 85.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.826 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.48 -45.34 93.46 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.154 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -65.16 -42.42 93.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.62 0.248 . . . . 0.0 111.332 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.468 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.4 t80 -63.94 -47.93 78.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.847 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -66.69 -37.13 84.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.44 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.3 -47.12 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.78 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.292 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.4 mt -64.68 -47.04 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.855 0.359 . . . . 0.0 110.054 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.49 -31.97 72.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.57 -13.37 59.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.316 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.81 69.5 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.265 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 22.4 t70 -102.68 95.96 6.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 111.138 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HA ' HD13 ' A' ' 87' ' ' LEU . 63.0 tttp -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.78 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.78 -48.58 79.27 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.027 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.458 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.8 m -71.71 -36.21 70.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.6 mt -59.42 -44.17 92.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.439 -177.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -58.47 -45.36 88.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.954 0.407 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -68.28 -42.84 78.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.0 mt -63.2 -36.24 82.97 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.788 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.72 -44.8 93.59 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.25 -44.46 91.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.096 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.51 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.442 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.51 -46.78 81.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.245 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.93 -39.44 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.973 0.416 . . . . 0.0 110.562 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.81 -36.22 80.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.902 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.53 80.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.96 -41.1 97.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.088 0.471 . . . . 0.0 110.111 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -70.16 -44.47 68.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -61.94 -46.1 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.86 -39.35 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 36.9 ttp180 -62.1 -46.32 89.57 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.262 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -35.31 77.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.246 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.57 -35.72 80.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.043 0.449 . . . . 0.0 110.291 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.4 -28.29 61.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.451 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 41.8 mt-10 -78.61 -23.81 45.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.772 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm . . . . . 0 N--CA 1.469 0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.939 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.6 mttm . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.706 0.288 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.6 -36.74 83.34 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.271 0.558 . . . . 0.0 109.629 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -62.19 -33.17 74.03 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.86 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.9 m -60.01 -43.88 94.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.16 -42.89 91.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.153 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.82 -35.32 74.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.44 -47.44 83.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.0 t -60.29 -44.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.298 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.78 -41.83 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.49 96.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CD2' HD22 ' A' ' 94' ' ' LEU . 54.9 m-85 -64.91 -36.17 83.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.54 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.8 mm-40 -60.57 -42.2 96.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -67.17 -42.92 83.48 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.613 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.54 -38.86 85.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.407 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.23 -45.28 91.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.395 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.01 -44.9 87.68 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 31' ' ' SER . 74.5 mt -62.96 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.37 -39.8 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.87 -23.84 67.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.545 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.05 -12.99 27.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.893 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.75 19.35 77.89 Favored Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 113.421 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 12.2 t70 -87.45 93.19 9.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.099 0.476 . . . . 0.0 110.804 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.91 -30.51 71.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.153 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.35 -50.15 74.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.008 0.432 . . . . 0.0 110.767 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 15.2 m -69.73 -31.4 69.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 mt -60.6 -45.95 92.09 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.89 -36.77 80.09 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -60.92 -47.89 84.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.695 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 39' ' ' ILE . 61.6 t -70.06 -36.5 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.697 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.8 mt -60.52 -36.32 78.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.46 -41.37 84.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.84 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt-10 -62.03 -45.99 91.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.239 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.575 ' O ' HG13 ' A' ' 43' ' ' ILE . 93.4 mt -60.57 -37.83 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.196 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' HB2' HH22 ' A' ' 76' ' ' ARG . 11.7 tp10 -58.79 -46.31 87.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.5 -43.62 93.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.18 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.4 mt -61.48 -40.5 94.78 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.082 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 39' ' ' ILE . 71.1 mt -61.66 -46.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.657 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -36.79 81.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.45 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -65.12 -43.02 93.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.329 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.19 -37.07 83.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.515 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -60.65 -36.89 79.82 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.198 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -62.8 -30.7 71.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.315 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.09 -31.89 64.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.394 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -74.78 -42.32 58.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.709 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.3 -48.23 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -76.8 -28.79 55.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? 74.21 134.8 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.63 158.23 31.98 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.215 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 115.6 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 62.47 76.22 0.37 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.68 0.613 . . . . 0.0 109.742 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -59.93 -42.32 93.7 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.184 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -58.96 -42.38 89.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 tt0 -74.64 -44.64 49.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.82 91.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.989 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.53 84.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.278 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.9 tptp -71.83 -30.79 65.85 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.122 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 85.3 mm-40 -62.96 -42.73 99.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.493 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -66.33 -35.77 90.71 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.81 -41.52 97.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.801 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.3 mm-40 -65.38 -34.32 78.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.269 0.557 . . . . 0.0 109.65 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.408 ' HE1' HG12 ' A' ' 43' ' ' ILE . 64.0 t-105 -67.47 -41.36 84.73 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.869 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -63.31 -39.86 86.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.69 -42.74 99.79 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.304 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.01 -44.79 95.97 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.923 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -66.74 -42.12 86.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.016 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.67 -43.85 92.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 109.896 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.19 -36.79 75.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.041 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.5 t80 -63.76 -43.58 96.0 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.488 178.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.421 HH22 ' HB2' ' A' ' 40' ' ' GLU . 57.9 mtt180 -62.99 -43.23 99.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.97 -39.7 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.07 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.533 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.5 mt -68.64 -36.95 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.612 176.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.6 -34.71 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.495 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.1 -13.61 58.55 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.72 32.07 73.91 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.5 t70 -101.48 90.82 4.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HA ' HD11 ' A' ' 87' ' ' LEU . 54.7 mtmt -70.85 -25.46 62.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.86 -49.4 77.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.314 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -71.46 -34.41 70.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.818 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 83.0 mt -59.64 -41.67 91.05 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.291 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.75 -40.38 97.05 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.689 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -68.91 -35.72 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.366 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.7 mt -69.38 -36.35 76.71 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.4 mt -59.59 -35.94 75.29 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.344 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.77 -44.9 84.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 109.865 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -66.67 -40.46 88.6 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.524 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.554 HD22 ' CD2' ' A' ' 17' ' ' PHE . 37.0 tp -61.77 -45.97 91.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.904 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.77 -42.79 94.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.51 -36.95 85.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 110.157 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.94 -36.31 83.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.994 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.1 mt -62.05 -32.35 72.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.19 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.18 -40.35 90.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.387 0.613 . . . . 0.0 109.456 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.11 -41.32 77.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.384 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 97' ' ' ALA . 67.3 mt -61.65 -39.09 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.501 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.2 mtm105 -60.53 -35.24 75.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -69.3 -39.85 78.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 110.296 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.52 -30.23 68.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.629 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.43 61.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.182 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.65 -26.19 37.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.7 mttm . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.517 177.027 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -63.8 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.116 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.99 -47.56 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.489 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -70.95 -43.88 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -60.69 -45.19 96.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.138 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.13 -39.31 82.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.773 0.321 . . . . 0.0 110.967 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.06 -39.18 88.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.679 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.3 tp -60.66 -45.46 94.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.986 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 10' ' ' GLY . 58.7 t -61.59 -44.24 98.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.584 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 16.1 mm100 -62.64 -45.73 91.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.623 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.77 96.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.451 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 22.4 m-85 -62.97 -37.52 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' NE2' HG11 ' A' ' 14' ' ' VAL . 49.8 mt-30 -65.64 -36.52 83.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.69 177.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 64.8 mtt180 -62.11 -35.05 77.55 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.4 tp -60.87 -41.06 95.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.98 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.431 ' HE ' ' HB2' ' A' ' 21' ' ' ARG . 35.1 mtm180 -65.63 -48.27 72.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.196 0.522 . . . . 0.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -42.18 95.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.107 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 28' ' ' ASP . 61.7 mt -67.39 -38.48 80.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 177.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 25.9 t80 -60.6 -43.04 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.608 176.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.6 -27.12 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.049 0.452 . . . . 0.0 110.568 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.95 -17.57 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.22 27.53 73.63 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.768 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 23' ' ' ILE . 6.7 t70 -93.59 93.0 7.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.979 0.419 . . . . 0.0 110.752 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.14 -28.84 69.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.398 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.26 -50.67 52.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -68.13 -29.93 68.96 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.21 -38.86 80.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.011 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.81 -39.34 93.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 111.394 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 85.9 mm-40 -63.17 -40.84 98.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.4 t -62.73 -35.64 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.56 -37.83 82.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.266 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.42 -37.67 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.971 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 58.8 mt-10 -65.91 -45.69 81.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.044 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.2 mm -59.74 -37.87 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.375 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.01 -47.38 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.182 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -69.67 -46.37 66.26 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.074 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 75.1 mt -61.51 -40.68 95.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.195 -175.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.92 -46.16 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.629 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -41.63 97.32 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.131 0.491 . . . . 0.0 110.838 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -69.86 -44.26 70.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.78 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -64.94 -38.68 91.77 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.237 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.49 -42.88 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.13 -45.12 82.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 93.3 mt -67.41 -46.55 72.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.9 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.62 -39.31 94.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.744 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.65 -20.36 60.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.9 mmp_? -72.58 -25.36 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -133.95 -158.17 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -149.15 127.13 11.91 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.87 31.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.464 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.927 0.394 . . . . 0.0 111.098 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.51 -25.44 66.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.997 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 m -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.108 0.48 . . . . 0.0 110.359 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.11 -39.87 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.336 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.93 79.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.525 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.372 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.18 -42.47 75.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -66.2 -42.52 88.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.132 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.57 -36.21 87.78 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.863 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -41.0 95.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.38 -41.06 89.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.447 ' HZ2' ' CZ ' ' A' ' 17' ' ' PHE . 74.8 t-105 -68.01 -46.75 70.38 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.783 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.91 -38.4 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.88 -39.75 93.02 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.28 -47.34 84.74 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.822 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -68.42 -36.87 79.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -61.95 -42.06 98.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -64.74 -37.69 88.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.022 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.56 -45.37 94.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -63.84 -44.02 94.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.42 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.44 -42.54 98.92 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.178 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.47 88.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.27 -46.09 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.355 0.597 . . . . 0.0 109.877 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.6 -37.41 87.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.827 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -87.39 -9.29 55.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.939 0.399 . . . . 0.0 111.32 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.81 66.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.091 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.27 87.61 7.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HA ' HD12 ' A' ' 87' ' ' LEU . 24.7 pttm -70.66 -26.41 63.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.129 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.29 -42.85 99.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -70.52 -39.46 74.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 94.8 mt -59.54 -43.44 93.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.196 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.58 -46.45 83.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.178 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -70.2 -40.82 74.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.573 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.5 mt -60.75 -36.18 78.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.728 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.8 mt -60.02 -43.23 95.39 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.187 0.517 . . . . 0.0 110.031 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.36 -44.43 75.25 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.253 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -63.26 -41.83 99.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.62 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.456 ' O ' HD22 ' A' ' 98' ' ' LEU . 42.9 tp -61.53 -45.33 94.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.295 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.13 -43.05 91.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -66.39 -39.42 89.04 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.48 96.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.29 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -66.79 -32.9 74.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.12 -40.62 96.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 88.3 tttt -64.06 -41.11 97.48 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.116 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.51 -38.29 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.368 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -61.0 -36.65 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.982 0.42 . . . . 0.0 110.132 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.85 -38.77 76.58 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.141 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 98.6 mt -65.56 -33.69 76.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.08 -15.63 62.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -91.43 -25.08 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.235 0.323 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.873 178.404 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 mttp . . . . . 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.5 -42.86 91.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.796 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -63.21 -43.77 97.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.8 -45.45 92.58 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.589 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.36 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.415 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -62.93 -40.52 99.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.548 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.1 t70 -66.23 -40.88 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.612 0.244 . . . . 0.0 110.557 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.79 -36.83 80.0 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.098 177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.92 -46.13 91.89 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.992 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 10' ' ' GLY . 87.4 t -58.73 -44.16 89.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 64.1 mt-30 -62.27 -39.53 93.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 110.221 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.07 92.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.905 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -67.12 -38.92 86.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.687 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.59 -38.54 91.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.174 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -65.03 -44.02 90.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.36 -37.75 84.51 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.868 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -58.16 -45.68 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.288 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.02 -40.79 78.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.084 0.469 . . . . 0.0 110.517 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.22 -42.0 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.34 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.69 -43.29 97.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.559 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.66 -34.11 77.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.73 -18.48 54.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.676 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.37 73.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.135 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -85.79 93.23 8.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 110.481 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.72 -26.68 67.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.522 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.46 -53.11 53.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.496 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.8 p -74.09 -31.16 62.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.0 tt -59.23 -47.64 84.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.952 -174.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.0 -36.52 82.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.25 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.12 -39.16 93.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 39' ' ' ILE . 94.3 t -68.02 -35.09 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 90.0 mt -60.23 -36.24 77.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.37 -44.35 95.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.667 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.754 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.537 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.1 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.24 -40.68 91.1 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.687 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.04 -42.58 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.25 -39.89 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.406 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.3 mt -60.7 -46.15 96.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.527 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.305 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.23 -45.69 93.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.277 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -66.37 -43.48 85.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.654 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -62.11 -43.95 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.826 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -42.27 75.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.689 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.56 -43.44 98.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 110.935 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -69.56 -39.8 77.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.24 -34.13 74.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.016 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.91 -34.21 74.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.464 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -65.28 -25.13 67.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.699 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 71.39 100.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.69 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -163.53 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.922 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -112.82 -29.81 7.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.664 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.34 175.88 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.295 0.638 . . . . 0.0 110.732 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.6 m -65.05 -44.93 87.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 10.3 tp10 -75.14 -37.07 61.5 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.21 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.7 99.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.779 0.324 . . . . 0.0 110.813 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.71 83.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.03 -44.44 80.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.782 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.87 -39.93 79.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.543 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -65.14 -40.26 96.75 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.107 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.69 -41.78 98.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.67 0.271 . . . . 0.0 111.355 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.19 -39.1 92.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -68.92 -44.83 72.32 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.083 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -67.39 -40.59 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.83 -27.23 69.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.612 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.07 -43.98 95.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.67 -34.32 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.326 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -60.58 -45.37 94.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.252 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -64.3 -37.12 86.36 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.505 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.8 t80 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -64.97 -36.89 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -44.46 75.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.17 -35.91 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.5 mt -62.51 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.216 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.753 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -78.05 -14.59 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.881 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.47 25.76 75.18 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.1 t70 -89.39 92.85 9.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HA ' HD13 ' A' ' 87' ' ' LEU . 60.5 mttp -71.47 -33.39 69.27 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.63 -35.42 80.74 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.82 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 m -70.62 -39.68 73.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 97.4 mt -59.58 -48.48 81.51 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.185 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.18 -44.11 96.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.2 -40.25 95.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.867 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.58 -36.8 85.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.5 mt -64.7 -45.09 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 110.222 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.26 -44.91 90.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.414 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.05 -34.74 78.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.923 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.06 -47.04 88.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.207 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.36 -42.51 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.464 . . . . 0.0 110.963 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.11 -36.8 85.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.076 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.59 -37.97 86.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.185 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.48 -40.46 96.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.512 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 14.2 mm100 -63.53 -44.24 94.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.38 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -61.57 -45.83 92.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -60.21 -44.99 96.65 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -60.37 -46.71 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.105 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 7.1 mm-40 -64.54 -44.61 90.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.076 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.94 -35.66 64.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.03 -31.91 61.45 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.69 -24.53 17.82 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.617 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.511 ' HZ2' ' HB2' ' A' ' 107' ' ' LYS . 10.3 mtmp? . . . . . 0 N--CA 1.469 0.507 0 C-N-CA 123.462 0.705 . . . . 0.0 112.09 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.44 -36.75 65.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.492 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -63.39 -47.13 83.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -64.79 -45.55 85.8 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.705 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 m -68.1 -37.03 80.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.068 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -61.71 -44.31 98.08 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.381 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 20.8 t70 -69.47 -38.12 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.192 0.52 . . . . 0.0 109.995 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.66 -38.93 86.52 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.241 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' O ' ' HD1' ' A' ' 17' ' ' PHE . 73.7 mt -63.34 -44.35 95.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.178 176.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.483 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 98.3 t -58.24 -40.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.63 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 73.8 mt-30 -61.36 -44.62 96.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.1 77.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.519 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 37.2 m-85 -63.33 -37.11 85.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.494 178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 15.7 mm100 -60.92 -38.1 84.59 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 98.6 mtt180 -62.98 -40.67 98.45 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.623 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.3 tp -60.83 -45.61 93.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.829 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -65.15 -45.3 85.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.71 -47.02 87.19 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.524 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 35' ' ' VAL . 72.3 mt -67.07 -38.3 80.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.17 -39.46 86.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.503 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.13 -30.25 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -77.81 -18.44 56.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.238 0.542 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 14.93 80.37 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.47 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.72 93.37 8.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.243 0.544 . . . . 0.0 110.498 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.21 -26.83 68.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.623 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.96 -51.37 59.05 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.536 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.477 ' O ' HG21 ' A' ' 35' ' ' VAL . 18.3 m -68.09 -32.19 72.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.172 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.88 -36.5 84.13 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.225 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.42 -39.84 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.811 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 39' ' ' ILE . 49.0 t -61.98 -34.4 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.585 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.2 mt -59.14 -39.36 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.68 -42.75 95.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.454 . . . . 0.0 110.413 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.07 -37.32 86.74 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.165 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.2 mm -64.19 -38.76 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.945 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.5 mt-10 -58.85 -45.67 89.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.18 -45.67 90.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.545 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.55 -39.55 84.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.329 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.1 mt -60.14 -44.47 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -62.33 -42.03 99.05 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.145 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -45.48 85.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.263 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -68.24 -39.48 82.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -62.89 -38.1 89.55 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.025 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.735 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.09 -42.25 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.09 -37.73 69.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 56' ' ' ALA . 21.5 t70 -63.49 -41.72 98.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.16 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.81 -29.4 64.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.202 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.365 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -74.83 -87.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.42 . . . . 0.0 110.282 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.22 25.28 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.358 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.558 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 66.67 92.85 0.08 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.244 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.3 70.77 1.36 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.195 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.051 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.1 m -68.24 -39.91 82.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.77 -45.36 61.9 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.21 -29.34 70.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.59 73.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.667 0.27 . . . . 0.0 110.75 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -76.66 -38.93 53.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.179 0.514 . . . . 0.0 109.804 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.1 -35.92 91.53 Favored Glycine 0 C--O 1.217 -0.939 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.665 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -60.93 -41.89 97.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.754 0.277 . . . . 0.0 111.272 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -71.35 -40.5 70.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.232 0.539 . . . . 0.0 110.043 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -64.99 -48.97 72.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -67.95 -38.84 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 56.8 tt0 -63.08 -30.67 71.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.801 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.76 -45.27 94.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -68.53 -33.73 74.63 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -60.23 -41.98 94.26 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 79.8 mtt180 -59.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.527 ' O ' HG12 ' A' ' 79' ' ' ILE . 53.0 t80 -63.78 -43.43 96.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.718 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -60.53 -43.89 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.295 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.675 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.9 mm-40 -60.3 -46.06 91.19 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.7 83.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 75' ' ' PHE . 43.5 mm -63.7 -45.08 98.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 0.0 109.991 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.58 -37.7 80.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.973 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.675 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 26.4 mmtp -84.25 -13.72 51.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.904 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.05 41.93 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.176 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -93.95 96.98 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' HD13 ' A' ' 87' ' ' LEU . 13.6 tppt? -71.6 -37.53 70.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.4 -176.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -66.86 -34.37 77.64 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -175.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 38.3 m -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.056 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 91.0 mt -58.05 -46.28 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.68 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.57 -44.29 74.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.3 mt -62.62 -36.85 84.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.14 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.3 mt -60.85 -35.68 77.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.966 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 tp10 -65.53 -45.87 81.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.8 -40.08 76.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 110.134 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.462 ' O ' HD22 ' A' ' 98' ' ' LEU . 45.1 tp -61.98 -40.64 96.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.136 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 12.1 tp10 -59.23 -39.24 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.54 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 84.3 mm-40 -60.23 -39.51 86.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.269 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.97 82.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.657 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 94' ' ' LEU . 4.2 mm? -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.655 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 86.0 mm-40 -62.53 -42.06 99.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.524 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 23.7 ttmm -67.03 -41.05 87.24 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.494 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.66 -41.34 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.924 0.392 . . . . 0.0 110.521 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -60.65 -46.75 89.12 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.67 -30.71 64.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 78.7 mt -68.45 -41.36 80.38 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.83 -27.28 62.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.162 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -83.2 -16.3 47.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.862 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? . . . . . 0 C--O 1.236 0.381 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.298 -177.689 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.239 0.512 0 CA-C-O 120.439 0.162 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 63.97 40.32 7.35 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 11.7 p90 -64.79 -19.04 65.61 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.18 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.1 -44.67 87.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -70.23 -38.2 75.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 tp -69.35 -44.96 70.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 10.8 mmt180 -67.03 -44.4 80.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.03 -46.11 90.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.149 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.3 m -65.31 -39.51 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -62.82 -44.3 97.67 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.394 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.4 -43.27 94.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 110.787 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.64 -37.18 80.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.92 -48.87 77.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.279 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 10' ' ' GLY . 82.4 t -58.91 -44.23 90.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.704 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.499 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 14.6 mm100 -62.3 -43.45 98.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.09 85.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.528 ' CD2' HD21 ' A' ' 94' ' ' LEU . 25.3 m-85 -65.38 -38.44 90.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.379 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.9 mm100 -61.55 -43.65 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 2.9 mpt_? -64.56 -35.66 81.71 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.162 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.18 -43.95 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.556 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -65.11 -39.98 93.88 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 42.0 mt-10 -63.19 -41.6 99.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.788 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 19' ' ' ARG . 83.5 mt -66.13 -38.37 81.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.363 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.63 -39.21 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.604 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.5 -28.2 69.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.13 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.48 -17.67 50.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.11 19.19 75.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.874 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -90.28 93.73 9.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.577 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -69.52 -25.96 64.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.926 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.38 -50.72 58.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.194 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' HG22 ' A' ' 35' ' ' VAL . 17.0 m -67.01 -34.35 77.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -62.14 -46.43 89.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.602 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.92 -40.57 95.26 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -63.71 -44.84 92.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.837 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 31' ' ' SER . 89.0 t -63.27 -34.69 68.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.751 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.1 mt -60.0 -36.12 76.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.349 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.37 -41.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.85 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 43' ' ' ILE . 38.4 mm -60.15 -38.82 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.065 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.77 -43.26 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.606 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.71 -41.08 98.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.876 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.61 -40.58 84.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.5 mt -59.62 -43.77 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.9 -44.36 96.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.139 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -70.27 -40.24 74.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -65.59 -41.72 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 109.74 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -63.55 -36.21 83.04 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.651 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.2 -42.98 99.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.866 0.365 . . . . 0.0 110.418 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.8 mt -67.47 -42.63 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.408 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -68.04 -40.45 82.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 19.5 t70 -68.33 -25.3 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.137 0.494 . . . . 0.0 110.662 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -81.37 -44.51 17.48 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.291 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -75.1 -31.97 61.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 51' ' ' ASP . 4.1 pt20 -18.68 91.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -174.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.64 -16.37 25.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.34 -176.76 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.31 127.6 32.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.691 0.282 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.6 -37.02 82.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -61.22 -41.95 97.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.978 0.418 . . . . 0.0 110.283 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.47 -40.97 73.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.558 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.81 95.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 -42.96 68.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.633 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.8 -32.76 74.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.03 -42.02 97.24 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.15 -37.92 95.23 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 9.9 t70 -61.25 -41.81 97.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.422 -0.389 . . . . 0.0 110.537 177.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.27 -42.51 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.4 -43.02 99.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.462 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 65' ' ' GLY . 72.2 t -63.94 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 49.3 mt-30 -63.04 -30.59 71.72 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.515 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.04 -48.39 71.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-O 120.845 0.355 . . . . 0.0 110.461 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.52 -35.17 70.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.471 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 22.1 tm0? -61.04 -46.57 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.847 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -68.7 -35.43 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.609 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 79' ' ' ILE . 71.9 t80 -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.889 -178.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.59 -38.85 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.794 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 12.1 mm-40 -61.91 -39.78 93.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.363 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.627 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 75' ' ' PHE . 78.5 mt -62.49 -43.06 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.55 -36.66 83.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.975 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -78.18 -14.22 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.24 23.87 73.31 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.539 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 15.7 t70 -87.02 96.87 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.126 0.488 . . . . 0.0 110.971 -176.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -65.32 -29.35 70.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.12 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.44 -47.67 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.454 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 18.6 m -70.0 -36.41 75.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.8 mt -59.4 -48.2 82.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.338 -178.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.904 0.383 . . . . 0.0 111.042 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.09 -43.19 99.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.803 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 86' ' ' SER . 95.4 mt -67.99 -35.85 79.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.412 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.9 mt -61.06 -41.0 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.465 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -65.47 -44.31 87.56 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.117 0.484 . . . . 0.0 110.176 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.89 -41.1 90.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.818 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.528 HD21 ' CD2' ' A' ' 17' ' ' PHE . 66.9 tp -61.96 -45.9 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.615 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 51.0 mt-10 -62.99 -46.94 85.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.51 -35.51 80.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -64.19 -40.91 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.389 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.1 mt -62.7 -40.46 97.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 95.6 mt-30 -62.69 -40.85 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.39 -45.69 68.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 97' ' ' ALA . 74.5 mt -60.67 -39.92 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.824 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -60.59 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 6.9 mm-40 -66.36 -37.84 86.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.896 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.04 -33.87 75.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.437 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.7 67.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.023 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.32 -2.9 58.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.482 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.2 tptm 62.78 49.15 3.82 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.57 0.7 . . . . 0.0 110.6 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.41 99.93 11.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.499 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.166 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.121 0.486 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.53 -26.1 18.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.26 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -85.14 126.97 34.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.596 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 33.7 tt0 -60.18 -37.01 78.88 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.27 0.356 . . . . 0.0 111.24 -176.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -62.04 -41.49 98.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.139 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.58 -38.24 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -63.28 -46.83 84.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.95 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 73.4 mm-40 -63.81 -45.06 91.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.462 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.47 -47.07 80.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.151 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.67 -41.61 89.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.836 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.46 -46.9 68.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.45 0.167 . . . . 0.0 111.055 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.85 -36.48 84.07 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.281 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.49 -48.6 81.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -66.86 -45.68 87.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 110.673 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 19.5 mm100 -64.47 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.039 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.52 94.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 110.66 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.5 m-85 -67.63 -38.44 83.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.818 177.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.31 -44.0 97.93 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 38.4 mtm-85 -69.71 -35.91 75.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.2 0.524 . . . . 0.0 109.927 177.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.09 -38.03 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.315 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -58.54 -42.28 87.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.88 -41.3 91.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.681 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.53 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.391 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.35 -41.09 94.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.325 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -77.58 -17.81 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.329 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.18 65.82 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.639 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.11 92.4 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.071 0.462 . . . . 0.0 110.069 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.32 -37.19 86.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.948 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.85 -50.25 74.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.888 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -69.33 -30.89 69.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.7 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 14.7 tp -59.75 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.33 -39.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.76 -46.96 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.17 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -65.9 -34.5 70.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.93 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 89.2 mt -60.12 -39.43 86.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.075 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.79 -39.38 94.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.488 . . . . 0.0 110.194 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.8 mm-40 -61.14 -41.07 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.926 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.8 mt -66.56 -38.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.742 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 52.5 mt-10 -58.84 -40.65 84.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.01 0.434 . . . . 0.0 110.476 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 43.8 mt-10 -65.95 -39.43 90.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.9 mt -65.95 -40.15 91.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 95.4 mt -60.22 -45.73 95.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.276 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -67.79 -39.91 83.98 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.267 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 59.2 mtpt -61.46 -44.56 96.9 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.028 0.442 . . . . 0.0 110.099 177.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.81 -47.68 84.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.34 -35.05 78.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -66.33 -36.58 83.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.584 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.83 -39.38 94.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.423 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.95 -43.35 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.061 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.4 -33.29 75.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.128 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -81.12 -28.95 34.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.301 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' NH2' ' HA ' ' A' ' 109' ' ' ASN . 67.6 ttt180 -67.02 -38.36 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -150.98 120.87 7.09 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.263 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -80.07 94.29 5.93 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.04 -172.94 2.55 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.444 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' ' HG3' ' A' ' 60' ' ' GLU . . . -73.9 157.99 35.27 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.747 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.46 -39.15 89.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.034 0.445 . . . . 0.0 110.311 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.89 -33.24 75.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.396 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' A' ' 57' ' ' ALA . 44.8 mt-10 -70.94 -41.4 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.299 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.86 91.28 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.34 83.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.822 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.47 -44.54 96.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.18 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.28 -37.99 74.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.309 0.575 . . . . 0.0 110.263 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -70.97 -46.49 44.25 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.413 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.11 -35.81 78.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.269 0.628 . . . . 0.0 112.395 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.1 -43.14 96.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 0.0 110.127 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -69.33 -41.49 76.59 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.035 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 65' ' ' GLY . 88.4 t -61.17 -37.94 78.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.44 -38.89 88.82 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.501 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' HG ' ' NH2' ' A' ' 74' ' ' ARG . 2.2 tt -65.41 -46.67 79.06 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.25 -38.68 91.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.48 -45.67 93.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.585 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' NH2' ' HG ' ' A' ' 71' ' ' LEU . 52.8 mtm180 -61.43 -36.99 81.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.148 0.499 . . . . 0.0 110.145 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.571 ' O ' HG13 ' A' ' 79' ' ' ILE . 61.3 t80 -66.76 -46.67 74.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.527 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -62.45 -44.55 96.14 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.853 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.26 -46.18 91.45 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.57 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.14 -35.92 80.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.4 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -64.27 -46.09 94.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.57 -36.78 83.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.382 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 12.6 mptt -88.66 -4.02 58.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.87 31.69 61.92 Favored Glycine 0 C--O 1.235 0.215 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.357 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.546 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m-20 -88.39 78.62 7.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.105 0.479 . . . . 0.0 110.665 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.545 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.51 -39.54 84.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.255 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.56 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 11.9 m -71.94 -38.46 69.83 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.8 mt -60.13 -48.51 81.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.835 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.73 -36.26 83.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.554 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.59 -35.02 78.2 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.4 mt -66.4 -34.61 78.35 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.318 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 91.2 mt -58.61 -34.38 71.07 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.93 -44.6 95.62 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.997 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.91 -41.03 97.45 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.416 0.627 . . . . 0.0 109.429 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 17' ' ' PHE . 59.6 tp -61.66 -46.12 91.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 43.8 mt-10 -60.14 -46.69 88.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -63.46 -39.26 94.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.6 mt -63.4 -42.32 98.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 68.0 mm-40 -66.16 -39.22 89.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 59.0 tttp -61.21 -40.3 93.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.999 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 97' ' ' ALA . 71.0 mt -60.13 -45.75 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.584 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -68.54 -37.46 79.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.768 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 35.6 mm-40 -60.8 -39.0 87.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.141 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.5 mt -73.47 -40.97 63.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.036 178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.3 -28.58 63.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.085 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -2.96 58.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.107 0.48 . . . . 0.0 110.862 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -92.61 -6.52 49.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.863 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm 72.63 -64.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.879 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.423 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 92.2 m-20 . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.378 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -129.37 -35.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 t80 74.2 -17.26 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.829 0.851 . . . . 0.0 111.714 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 2' ' ' GLU . 61.1 mm-40 -63.12 -45.8 90.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -72.8 -34.26 66.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.08 -44.93 87.31 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -70.72 -38.91 73.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.296 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -60.61 -43.31 97.61 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 46' ' ' HIS . 31.2 m -61.58 -35.68 78.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.74 -44.79 88.57 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.04 -44.04 97.0 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 109.975 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.01 -36.84 80.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.801 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.84 -47.44 85.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.8 t -60.15 -45.11 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.797 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.44 -45.85 92.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.56 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.413 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -67.82 -38.73 83.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.567 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 86.5 mm-40 -61.34 -44.07 97.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.929 0.395 . . . . 0.0 110.014 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -66.02 -36.78 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.379 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.8 -44.74 96.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -65.0 -40.73 95.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 46.1 mt-10 -60.75 -46.7 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.309 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.97 -39.12 82.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.76 -41.78 98.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.97 -32.62 74.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.31 -17.61 48.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.569 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 28.0 54.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.649 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.47 92.99 8.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.27 0.535 . . . . 0.0 110.091 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.42 -39.59 87.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.888 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.22 -50.92 71.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.606 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' HG21 ' A' ' 35' ' ' VAL . 17.6 m -71.49 -34.0 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 tp -61.45 -46.88 88.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 0.0 109.896 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.46 -40.63 93.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.724 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.73 -39.83 95.3 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.865 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 31' ' ' SER . 98.6 t -68.83 -34.27 63.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.892 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -59.08 -38.2 78.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.035 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.01 -43.4 95.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.5 tt0 -61.92 -45.45 93.68 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.149 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.9 mt -59.6 -39.29 79.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.97 -42.29 97.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.66 -45.27 94.76 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.0 mt -61.95 -42.66 99.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.017 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.1 mt -60.85 -46.62 95.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.685 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.47 -44.32 87.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 88.8 tttt -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 78.6 t60 -63.27 -46.62 85.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -34.35 77.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.024 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.06 -45.78 69.5 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.276 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 87.7 mt -63.2 -46.01 89.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.431 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -63.09 -47.68 81.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.846 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.93 -31.25 71.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.629 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -74.15 -28.74 61.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.457 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.5 mmm180 -75.46 -38.91 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.655 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG2' ' H ' ' A' ' 56' ' ' ALA . 60.1 tt0 -174.53 155.1 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.881 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -36.52 51.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.434 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' H ' ' HG2' ' A' ' 54' ' ' GLN . . . 53.72 47.61 23.35 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.888 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.22 111.64 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.971 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.708 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.8 t -64.19 -39.42 93.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.53 -44.73 73.96 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.9 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.541 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.09 84.58 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.101 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.708 ' HG2' ' O ' ' A' ' 59' ' ' THR . 29.3 mmtp -66.5 -43.66 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 110.539 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -65.92 -43.37 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.082 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -45.78 68.81 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.656 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.25 -41.65 97.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.644 0.259 . . . . 0.0 111.555 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 77.6 mm-40 -70.26 -39.07 75.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -68.21 -46.04 71.68 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.44 -41.43 91.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.632 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.25 -42.3 99.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.74 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.263 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.84 -43.2 99.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.115 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -60.85 -44.9 96.36 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -59.8 -42.48 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.836 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -66.73 -48.09 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.633 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -65.65 -33.82 76.77 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.294 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.633 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 7.8 tp10 -60.03 -46.13 90.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.921 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.57 -36.27 83.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.581 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.0 mm -64.54 -47.1 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.075 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.62 -34.71 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.336 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.62 -11.35 59.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.188 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.49 31.94 68.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.684 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.517 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 t70 -97.59 96.14 8.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.0 110.741 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HA ' HD13 ' A' ' 87' ' ' LEU . 96.5 mttt -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.496 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.3 -49.93 75.43 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.756 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 p -72.21 -34.28 68.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.972 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.4 mt -59.29 -40.98 87.85 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.05 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.3 mt-10 -62.91 -39.28 94.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.724 0.297 . . . . 0.0 111.069 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.06 -37.82 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.21 0.528 . . . . 0.0 109.983 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.3 -35.88 78.56 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.665 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.4 mt -59.14 -40.42 85.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.136 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -69.92 -41.71 74.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 110.758 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -34.78 78.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.175 0.512 . . . . 0.0 110.448 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 98' ' ' LEU . 31.6 tp -61.35 -45.02 96.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.537 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.18 -46.2 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.998 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.25 -41.95 99.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.57 86.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.901 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -67.93 -38.98 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.64 -40.54 97.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.03 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.538 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 86.2 tttt -61.83 -47.18 86.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.815 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.02 -42.89 97.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -63.93 -39.04 93.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.241 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.162 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 90.6 mt -65.4 -31.89 73.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 110.578 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.63 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -84.93 -2.6 58.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.364 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -81.66 95.47 7.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.859 0.362 . . . . 0.0 110.513 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -87.47 111.34 21.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.009 -179.754 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.5 -28.14 68.33 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 106' ' ' GLU . 32.1 t80 -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 177.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.71 -44.56 93.65 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.701 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.81 -42.98 97.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.227 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.87 -42.53 69.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.399 . . . . 0.0 110.692 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -63.33 -45.69 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.381 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -69.89 -34.47 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -62.96 -41.47 99.54 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -66.77 -39.89 93.68 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.27 -39.08 85.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.965 0.506 . . . . 0.0 110.798 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.69 -37.17 83.13 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.238 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.27 -39.59 92.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.636 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 98' ' ' LEU . 47.4 t -58.77 -42.3 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.15 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.183 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.43 91.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.46 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -67.49 -40.44 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -64.2 -41.9 96.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.14 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' O ' HG13 ' A' ' 23' ' ' ILE . 20.8 tpp180 -66.4 -36.54 83.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.901 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.88 -42.82 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.257 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -63.41 -40.0 96.02 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 46.7 mt-10 -61.97 -45.4 93.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.787 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 19' ' ' ARG . 75.1 mt -63.65 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.309 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.64 -41.0 94.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.826 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.36 -30.13 69.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.227 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.1 mttt -77.69 -17.35 57.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.57 27.15 57.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.809 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -93.15 92.45 7.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.0 -27.09 63.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.348 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.86 -51.01 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.976 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.424 ' O ' HG21 ' A' ' 35' ' ' VAL . 10.8 m -72.2 -33.92 67.99 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.512 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -61.19 -47.29 86.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.259 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.362 . . . . 0.0 111.313 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -64.92 -42.06 95.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 31' ' ' SER . 92.6 t -66.41 -35.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.818 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -60.71 -36.65 79.34 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.09 0.472 . . . . 0.0 110.19 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -38.64 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.335 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.03 -44.68 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.9 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.562 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.7 mt -60.03 -38.93 78.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.468 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.84 -39.16 90.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.66 -44.08 82.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.803 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.78 -39.09 90.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.893 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 39' ' ' ILE . 98.2 mt -59.98 -44.34 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.041 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.71 -37.62 87.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.067 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 80.5 tttt -60.7 -45.08 95.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.989 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -64.93 -45.32 86.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.094 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 39.2 mmt180 -61.91 -42.51 99.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.603 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.545 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 99.2 mt -66.75 -35.8 80.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -73.13 -41.07 64.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.744 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.64 -34.87 77.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -19.79 62.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.677 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 25.5 mmt180 -75.78 -37.49 59.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 0.0 110.649 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -145.02 86.4 1.78 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.132 0.492 . . . . 0.0 110.196 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.383 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.46 -20.89 59.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.86 30.38 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.307 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.31 -37.78 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.636 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.5 m -76.22 -42.06 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.524 0.202 . . . . 0.0 111.515 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.53 -44.53 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.651 0.262 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.25 86.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -42.76 78.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -72.38 -37.68 68.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.867 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.61 -40.88 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -66.3 -36.05 91.14 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.536 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.75 -42.0 96.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.824 0.345 . . . . 0.0 110.734 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -69.54 -35.05 75.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -67.13 -47.6 70.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.219 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 65' ' ' GLY . 91.1 t -61.91 -39.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.584 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 22.1 tp60 -62.24 -42.03 98.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.252 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.45 -42.95 91.82 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -61.86 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.495 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.72 -37.44 87.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.04 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 95.8 mtt180 -58.76 -37.67 76.76 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.34 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 79' ' ' ILE . 73.6 t80 -63.5 -46.96 83.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.576 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -65.52 -41.39 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.55 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 10.3 mm-40 -60.87 -42.91 98.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.36 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.23 83.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 75' ' ' PHE . 77.1 mt -64.11 -42.06 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.08 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.938 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 84.8 mttt -80.07 -13.59 59.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.459 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.0 70.43 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.955 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.74 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.0 t70 -87.39 91.52 8.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -70.99 -36.34 72.43 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.832 -173.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -65.16 -36.18 83.41 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.609 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.49 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 24.3 m -70.69 -38.83 73.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.819 177.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.5 mt -60.02 -47.61 85.15 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.77 -45.44 85.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.75 -42.89 81.08 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.802 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.5 mt -61.41 -36.49 80.46 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.384 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.7 mt -59.61 -46.17 89.75 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.21 -44.05 72.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.733 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.57 -40.42 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.073 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.483 ' O ' HD21 ' A' ' 98' ' ' LEU . 38.3 tp -66.2 -46.42 77.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.774 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.62 -42.97 97.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.866 0.365 . . . . 0.0 111.254 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.82 -35.21 79.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -38.09 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.85 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.49 ' HB3' HG21 ' A' ' 14' ' ' VAL . 4.1 mm? -63.3 -35.25 79.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.308 177.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 16.0 mm100 -62.85 -38.22 89.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.486 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 32.0 mmtm -67.74 -36.32 80.35 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.885 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 98' ' ' LEU . 67.0 mt -61.94 -40.31 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 0.0 110.066 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.28 -38.17 85.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.6 mt-10 -73.07 -44.92 59.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.768 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -61.48 -28.38 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.356 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -29.41 70.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 0.0 111.079 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 3' ' ' PHE . 31.6 tt0 -94.85 -22.41 18.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.27 0.557 . . . . 0.0 110.559 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -97.86 8.11 45.26 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.99 97.56 2.33 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.233 178.575 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.68 135.7 47.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.589 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 72.1 m-85 -118.64 -35.27 3.76 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.06 -43.41 95.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.899 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -65.44 -32.7 74.45 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.977 0.417 . . . . 0.0 110.783 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 58.1 mtp180 -62.94 -44.28 96.49 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.019 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -61.3 -44.5 97.11 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.062 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -67.49 -35.07 78.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.134 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.62 90.13 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.24 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.47 -35.54 80.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.718 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.22 -45.44 91.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.277 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.58 -46.67 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.616 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 41.8 t -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.776 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -67.71 -40.22 84.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.494 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.07 -40.5 93.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.493 ' CD2' HD23 ' A' ' 94' ' ' LEU . 42.7 m-85 -67.4 -36.85 82.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 81.4 mm-40 -61.43 -42.89 99.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 26.4 ptt85 -68.78 -32.96 73.06 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.228 0.537 . . . . 0.0 109.64 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.41 -39.33 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.53 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -59.46 -38.5 80.96 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.654 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -45.11 94.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.211 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' CD1' HG22 ' A' ' 35' ' ' VAL . 76.1 mt -67.9 -41.02 84.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.376 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.57 -38.69 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.06 -33.98 74.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -84.28 -7.38 59.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.954 0.407 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.43 27.43 73.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.063 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.53 92.47 9.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.951 0.405 . . . . 0.0 110.101 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -61.17 -39.32 89.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.574 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 4.6 m-20 -60.42 -51.35 69.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.372 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.0 m -70.26 -33.33 71.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 23.7 tp -61.56 -47.26 86.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.308 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.58 -40.85 93.19 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 80.0 mm-40 -60.42 -42.82 96.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.5 t -70.09 -34.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 72.6 mt -60.1 -37.1 78.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.671 0.272 . . . . 0.0 110.386 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 33.6 tt0 -63.36 -43.48 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.3 tt0 -63.38 -41.69 98.79 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.145 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.0 mm -59.73 -40.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 39.5 tt0 -61.39 -40.67 95.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.796 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 40.1 mt-10 -66.53 -41.91 88.05 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.7 mt -61.89 -39.63 92.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.333 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.7 mt -60.22 -40.99 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 82.8 mm-40 -62.32 -39.92 94.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -66.1 -43.41 87.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.317 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.018 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -60.08 -44.62 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.06 -44.72 68.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.69 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.15 -43.29 87.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.776 0.322 . . . . 0.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.519 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 68.0 t80 -66.31 -36.99 84.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.59 -33.77 60.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.99 -35.13 79.16 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -70.69 -24.15 62.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.515 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 78.4 mm-40 -73.42 86.06 1.52 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -87.75 103.18 15.37 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 72.6 154.36 0.14 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.89 -173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.67 16.85 10.61 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.934 0.397 . . . . 0.0 111.332 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.04 -21.73 66.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.878 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -62.61 -31.19 71.98 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.999 0.428 . . . . 0.0 110.597 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.03 -38.56 72.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.165 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.17 -33.72 76.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.481 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.85 83.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.286 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -72.01 -40.93 68.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.657 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.52 -36.73 84.73 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -33.75 85.17 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.097 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 2.1 mp0 -65.05 -38.98 92.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.7 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -68.0 -45.83 72.99 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.92 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.723 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -62.54 -35.85 80.74 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 93.7 mt -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.521 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.88 -45.19 82.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.73 -37.68 88.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -64.2 -36.58 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.477 ' HA ' HD11 ' A' ' 90' ' ' LEU . 70.3 t80 -66.33 -46.96 75.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -63.05 -40.29 97.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 111.175 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.84 -44.07 97.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.459 HD11 ' CE2' ' A' ' 75' ' ' PHE . 77.7 mt -68.83 -45.37 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.63 -37.14 86.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.189 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.81 -13.38 59.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.637 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.45 31.56 74.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.035 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.5 t70 -95.23 97.64 10.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -60.04 -33.06 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.33 -44.65 92.59 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.545 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -70.88 -35.64 72.43 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.467 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 93.7 mt -61.73 -49.72 75.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.57 -42.1 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.513 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -68.92 -37.55 78.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.206 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 75' ' ' PHE . 29.6 mt -61.69 -35.92 79.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.914 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 98.9 mt -59.13 -38.43 79.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.916 0.389 . . . . 0.0 110.092 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 40.1 tt0 -70.4 -45.29 66.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.859 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.03 -42.77 84.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.493 HD23 ' CD2' ' A' ' 17' ' ' PHE . 51.5 tp -62.19 -45.41 93.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.884 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.46 -37.64 88.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 76.3 mt-30 -60.26 -42.23 94.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 110.117 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.29 85.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.45 -39.14 92.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.14 -41.49 99.3 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.18 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.91 -46.75 67.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.922 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.91 -37.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -60.49 -46.83 88.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.28 -40.23 95.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.16 -41.48 85.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.238 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.69 -28.62 63.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.0 -20.74 57.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.07 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 tttp 59.91 40.4 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -68.44 110.68 4.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.747 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.929 175.358 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.09 -55.98 5.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 106' ' ' GLU . 35.5 t80 -62.82 -21.66 66.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.801 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 28.6 tt0 -58.38 -42.22 86.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.946 0.403 . . . . 0.0 110.215 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -70.16 -42.05 72.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.803 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.63 -38.9 92.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.393 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -62.87 -43.15 99.57 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.488 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.706 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.3 mt-30 -61.74 -47.94 82.94 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.983 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 m -69.82 -44.4 70.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.778 0.323 . . . . 0.0 111.482 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.44 -39.6 96.5 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.507 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.75 -36.08 75.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.248 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.706 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 55.0 mt-10 -60.71 -38.01 83.62 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 110.427 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.02 -47.63 85.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 51.9 t -60.73 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.431 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 80.1 mt-30 -61.63 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.032 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.29 74.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.716 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 94' ' ' LEU . 20.0 m-85 -62.42 -38.25 88.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 84.0 mm-40 -61.51 -43.21 99.28 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.407 177.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 6.5 mpt_? -69.37 -32.59 71.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -59.41 -42.7 92.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.756 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -65.21 -38.66 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.79 -45.52 94.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.505 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.1 mt -67.1 -39.53 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.354 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -60.89 -39.93 91.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.9 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.65 -32.91 74.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.68 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -82.26 -17.84 44.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 0.0 110.895 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.94 25.49 64.37 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.106 -0.569 . . . . 0.0 113.172 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.56 91.8 8.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.93 0.365 . . . . 0.0 110.262 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.44 -44.18 89.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.043 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.44 -44.04 97.37 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.071 0.462 . . . . 0.0 110.923 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -71.63 -32.95 68.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.612 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.56 -47.23 84.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.4 -36.03 82.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.15 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 tm0? -59.06 -40.4 85.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.396 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 39' ' ' ILE . 61.5 t -69.55 -36.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.31 -36.64 78.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.617 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.98 -40.81 91.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.938 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 mm-40 -64.0 -43.15 96.54 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.213 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.2 mm -59.82 -39.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.307 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.42 -41.55 89.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.507 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 87.5 mt-10 -68.21 -40.46 82.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -64.59 -40.38 95.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.172 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 39' ' ' ILE . 97.6 mt -60.24 -41.57 87.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 110.135 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.75 -36.65 84.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.012 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 62.1 mtpt -61.55 -44.46 97.0 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.482 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.95 -42.16 97.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.472 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -66.88 -38.66 86.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.702 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -63.65 -40.24 96.34 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.111 0.481 . . . . 0.0 110.173 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 95.0 mt -68.42 -38.12 80.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.943 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -67.21 -39.08 86.25 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 15.2 t70 -64.28 -33.98 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.443 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.12 -36.87 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.332 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -75.32 -40.18 58.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.884 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 6.3 tp-100 38.96 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.241 1.017 . . . . 0.0 112.623 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -110.63 24.41 13.0 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 120.952 0.406 . . . . 0.0 111.415 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.66 13.16 6.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.03 65.03 6.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.245 0.545 . . . . 0.0 109.941 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.73 -42.95 73.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.49 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -65.74 -41.86 91.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.61 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.8 tt0 -68.95 -41.62 77.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.462 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.1 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.05 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.209 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -63.1 -45.0 94.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.06 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 11.5 pt20 -75.41 -37.67 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.075 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -68.48 -46.62 61.9 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.716 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.72 -41.91 98.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.409 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.402 ' HE1' ' CD1' ' A' ' 43' ' ' ILE . 73.7 t-105 -66.79 -40.24 88.07 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -63.61 -42.78 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.2 -44.97 93.86 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.09 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -65.02 -38.99 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.84 -45.33 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.233 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -62.57 -39.94 95.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.026 0.441 . . . . 0.0 110.381 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 t80 -63.74 -44.63 92.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.769 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -42.79 99.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.074 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.3 -46.86 88.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.715 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.64 83.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.361 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.7 mt -64.98 -41.19 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.92 0.39 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.19 -35.87 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.975 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.57 -13.55 57.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.99 31.45 66.83 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.962 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -96.97 96.33 8.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.904 0.383 . . . . 0.0 110.38 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -70.28 -24.86 63.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.334 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.63 -46.55 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.462 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.8 p -71.21 -39.5 71.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.555 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 96.7 mt -59.36 -41.27 88.85 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.95 -47.1 83.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.554 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.4 mt -63.93 -41.01 97.76 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.666 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.2 mt -61.32 -44.59 96.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.414 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.96 -45.52 92.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.748 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.89 -33.59 72.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.27 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.356 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.84 -44.77 93.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.258 0.551 . . . . 0.0 110.42 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.12 -36.54 82.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.892 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.66 -38.08 88.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.8 mt -62.52 -37.72 87.17 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.131 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.16 -44.67 94.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.953 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.0 mttp -63.55 -43.31 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.68 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.4 mt -59.83 -43.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 19.3 mtp180 -62.3 -39.01 91.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.656 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 107' ' ' LYS . 46.8 mt-10 -69.13 -39.62 78.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.792 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 82.9 mt -66.39 -40.14 89.46 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.582 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.76 -24.1 66.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 3' ' ' PHE . 41.0 tt0 -86.8 -10.5 53.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.202 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 27.3 mtpp -93.72 124.35 37.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.907 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -109.77 -20.13 12.91 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.033 178.537 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 15.8 m . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 120.599 0.238 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.37 -24.21 63.85 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -56.92 -54.71 43.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 1' ' ' SER . 15.7 pt-20 -68.28 -31.52 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.228 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.75 -42.48 99.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.0 110.274 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' CD2' ' HD3' ' A' ' 53' ' ' ARG . 46.1 tp -70.57 -36.25 73.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.74 -42.61 85.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.062 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 48.7 tt0 -65.52 -46.11 80.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.2 m -69.47 -36.42 76.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.36 -40.06 98.56 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.58 -40.93 98.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 42.6 mt-10 -60.85 -43.74 97.92 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.66 -48.16 83.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.628 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 95.7 t -64.55 -42.54 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -62.34 -40.79 97.53 Favored 'General case' 0 N--CA 1.419 -1.987 0 C-N-CA 122.784 0.433 . . . . 0.0 110.425 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.83 99.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.5 m-85 -66.13 -39.37 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 76.4 mm-40 -63.88 -36.66 84.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 109.939 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 23' ' ' ILE . 19.1 tpp180 -66.57 -40.82 89.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.02 -39.05 88.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.372 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 17' ' ' PHE . 22.6 mtp180 -59.28 -44.53 92.46 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.307 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -64.93 -38.46 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 19' ' ' ARG . 79.4 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.186 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CE1' HD13 ' A' ' 87' ' ' LEU . 71.2 t80 -67.14 -38.79 86.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.626 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.71 -35.15 77.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.583 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -94.48 -6.83 43.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.008 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 28.84 55.23 Favored Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.934 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' HB3' HG22 ' A' ' 23' ' ' ILE . 11.0 t70 -86.36 93.46 9.11 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.325 0.584 . . . . 0.0 110.466 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.73 -43.91 74.95 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.97 -46.38 89.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . 97.8 p -72.6 -31.1 64.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.453 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.68 -46.24 87.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -174.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -39.79 95.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.865 0.364 . . . . 0.0 111.156 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.8 -43.8 78.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.1 t -62.59 -36.66 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.793 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.64 -41.44 94.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.319 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.29 -38.03 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.475 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -67.53 -39.09 85.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.495 ' O ' HG13 ' A' ' 43' ' ' ILE . 66.0 mt -61.63 -37.7 78.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 176.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.38 -43.17 88.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.957 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.99 -37.25 86.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.649 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.73 -40.23 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.348 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -60.47 -38.49 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -62.31 -46.24 89.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.792 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.05 -45.43 93.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.299 0.571 . . . . 0.0 109.949 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.622 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -66.45 -34.43 77.93 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.19 -44.79 96.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.78 -37.4 65.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.274 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.72 -48.88 73.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -67.09 -24.2 65.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -80.3 -35.88 35.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.419 ' HD3' ' CD2' ' A' ' 6' ' ' LEU . 43.6 mtp180 -68.75 -39.28 80.38 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.684 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -158.54 143.43 16.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.03 126.65 40.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.47 157.52 17.0 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.583 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -72.09 166.78 21.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.255 178.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.32 -42.25 95.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.176 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -69.74 -42.11 74.35 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.033 0.444 . . . . 0.0 110.506 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' A' ' 57' ' ' ALA . 1.2 mp0 -66.86 -45.72 77.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.395 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.95 86.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.27 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.19 71.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.933 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.74 -44.33 90.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.699 0.285 . . . . 0.0 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -75.72 -40.0 56.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.992 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -65.21 -44.62 93.58 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.604 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.3 -40.0 92.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.51 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.89 -42.64 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.639 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -67.51 -47.77 69.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 65' ' ' GLY . 76.3 t -61.1 -38.95 80.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -44.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.568 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.7 -44.91 96.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.339 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -65.42 -46.06 81.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.043 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.02 -46.51 81.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.521 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -68.5 -38.51 81.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' O ' HG13 ' A' ' 79' ' ' ILE . 85.5 t80 -61.73 -49.82 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.106 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -68.26 -35.7 78.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.956 0.408 . . . . 0.0 111.209 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.27 -42.46 99.36 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.658 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -35.15 78.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.038 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.9 mt -61.0 -38.08 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.107 0.48 . . . . 0.0 109.903 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -27.69 69.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -93.91 -13.41 27.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.555 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.3 22.32 78.55 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.19 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.424 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 28.8 t70 -87.26 91.07 8.59 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.167 0.508 . . . . 0.0 110.812 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 87' ' ' LEU . 22.2 ptmt -64.66 -24.2 67.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.262 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.66 -49.56 76.09 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 37.9 m -71.96 -39.79 69.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.585 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 HD13 ' CE1' ' A' ' 24' ' ' PHE . 97.4 mt -59.29 -48.37 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -175.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.679 0.276 . . . . 0.0 111.383 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 52.7 tt0 -69.79 -43.66 71.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.075 0.465 . . . . 0.0 110.235 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.2 mt -61.1 -33.46 73.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.35 -44.0 83.93 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 110.643 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -70.38 -38.28 74.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.996 0.427 . . . . 0.0 110.672 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 7.2 mm-40 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 17' ' ' PHE . 52.8 tp -66.48 -39.9 89.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.361 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.94 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.335 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.05 -35.83 80.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.807 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.0 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.3 mt -62.81 -43.77 97.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 110.45 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -70.29 -35.76 73.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.807 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -61.63 -46.04 91.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.15 -40.82 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.608 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -60.88 -39.46 89.31 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.85 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -63.35 -42.35 98.91 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.352 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.78 -34.58 73.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.41 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.34 -31.58 64.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.06 -22.71 17.73 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.293 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -136.25 97.51 3.61 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.18 -173.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -80.37 110.74 16.1 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.314 -0.966 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.576 -178.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 4' ' ' GLU . 12.9 pt-20 -58.35 125.94 25.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.0 t80 73.37 -40.1 0.46 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.892 0.877 . . . . 0.0 110.926 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 34.7 tt0 -59.47 -41.38 89.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.719 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.38 -29.04 70.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 49' ' ' LEU . 69.3 mt -72.43 -44.69 62.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.574 . . . . 0.0 109.753 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.546 ' HG3' ' OE2' ' A' ' 106' ' ' GLU . 49.1 ttp180 -70.2 -47.02 63.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.455 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 10.0 mm100 -63.84 -39.23 93.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.1 m -62.38 -45.56 92.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.675 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -39.99 97.02 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.072 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 44.5 mt-10 -60.15 -41.35 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.876 0.37 . . . . 0.0 110.023 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.39 -47.69 84.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.43 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 43.6 t -59.89 -45.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.764 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.38 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -67.94 -37.31 81.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.856 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 79.4 mm-40 -61.35 -41.15 96.6 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.812 0.339 . . . . 0.0 110.241 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -67.81 -37.22 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.71 -38.17 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.434 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -58.34 -43.87 88.48 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.009 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.5 -43.19 90.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.7 -45.95 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.335 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 87' ' ' LEU . 49.1 t80 -64.57 -38.9 92.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.507 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.46 -35.45 77.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -88.67 -16.59 31.95 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.73 27.07 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.614 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.94 90.6 8.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.134 0.492 . . . . 0.0 110.009 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.04 -28.26 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.155 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.59 -51.67 68.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.219 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 m -72.79 -31.49 64.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.1 -44.3 94.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.86 -36.85 72.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.446 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -63.25 -36.17 82.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.971 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 39' ' ' ILE . 60.5 t -62.34 -37.16 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.832 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.69 -37.1 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.911 0.386 . . . . 0.0 110.807 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.3 mm-40 -69.62 -43.06 73.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.816 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.12 -42.19 89.53 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -60.41 -38.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 7.3 tp10 -59.22 -46.03 89.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 31.1 mt-10 -59.28 -46.48 88.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.6 -40.58 92.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.774 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.3 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 67.6 mm-40 -62.97 -36.53 83.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.689 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 54.6 mtpt -61.6 -44.61 96.69 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -62.06 -39.38 92.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -61.12 -42.39 98.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.24 -41.24 94.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.499 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.0 mt -64.8 -45.04 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.67 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -72.06 -36.2 69.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.6 -31.59 70.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -59.88 -32.13 70.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.675 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.01 162.52 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 64.7 12.53 7.67 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.16 0.584 . . . . 0.0 111.481 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.34 116.09 28.31 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.396 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 125.98 25.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.06 -27.37 68.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -59.19 -42.39 90.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.189 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.51 -40.64 73.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.7 99.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.4 -43.28 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.97 -45.4 89.26 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.804 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -73.84 -39.97 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.556 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.08 -44.65 96.96 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.778 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.586 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 18.6 t70 -61.76 -40.84 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.608 0.242 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.19 -39.79 94.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -66.97 -43.42 83.1 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.516 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 87.3 t -60.93 -39.37 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 80.3 mm-40 -62.74 -35.41 79.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.182 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -66.19 -39.75 89.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.1 -43.52 78.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.397 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 14.1 mm100 -62.98 -45.04 94.28 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.208 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -59.87 -43.13 94.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.195 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' A' ' 79' ' ' ILE . 74.9 t80 -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -64.26 -42.72 96.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.52 -39.76 89.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.394 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.42 90.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.412 HD12 ' CE2' ' A' ' 75' ' ' PHE . 64.0 mt -68.46 -43.35 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.314 0.578 . . . . 0.0 109.668 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.51 -37.16 84.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.335 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -81.87 -13.33 57.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.042 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.66 30.92 65.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.959 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.21 97.04 7.18 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.825 0.345 . . . . 0.0 110.707 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 17.0 pttp -68.43 -25.42 65.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.317 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -48.63 78.95 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.552 0.215 . . . . 0.0 111.161 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.534 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 12.1 p -70.99 -36.19 72.39 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.583 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 84' ' ' LYS . 84.7 mt -59.49 -44.28 93.11 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 84.9 mt-10 -58.32 -45.57 87.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.28 -40.11 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.841 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 86' ' ' SER . 91.9 mt -63.11 -36.2 82.79 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.626 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.52 -37.04 74.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.716 0.294 . . . . 0.0 111.419 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.85 -45.44 67.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.2 -36.11 74.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.67 -45.5 93.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.811 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.7 tt0 -59.13 -41.18 87.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.818 0.342 . . . . 0.0 110.79 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -63.8 -36.13 82.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.46 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -61.69 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.32 -37.27 86.61 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.948 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 74.4 mm-40 -64.49 -41.81 96.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.19 -44.71 95.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.406 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 97' ' ' ALA . 80.5 mt -61.9 -45.79 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.351 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.453 ' HE ' ' CD ' ' A' ' 106' ' ' GLU . 53.6 ttt180 -60.86 -36.4 79.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.8 mt-10 -60.41 -40.62 91.63 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.704 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.51 -37.58 80.17 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.011 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.07 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.015 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.546 ' OE2' ' HG3' ' A' ' 7' ' ' ARG . 57.1 mt-10 -91.25 -22.45 20.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.736 0.303 . . . . 0.0 111.548 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -121.89 98.25 5.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.969 0.414 . . . . 0.0 110.862 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -77.11 116.33 17.66 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.374 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.521 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 CA--C 1.518 -0.262 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.8 9.98 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.074 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -107.91 102.05 11.27 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.631 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 10.6 tp10 -63.71 -48.61 76.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -30.47 63.13 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.322 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' HG ' HH11 ' A' ' 53' ' ' ARG . 6.7 tt -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -66.84 -42.04 86.42 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 76.2 mm-40 -64.34 -44.27 92.02 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.674 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -60.73 -42.63 97.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.796 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.26 -40.68 92.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 15.1 t70 -65.23 -46.34 81.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.9 mt-10 -65.06 -35.26 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.35 -43.83 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.1 -38.38 80.73 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.306 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 98.6 mt-30 -60.08 -37.86 81.16 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.38 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.369 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -68.55 -38.92 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -63.72 -38.48 91.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.844 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' NH1' HG21 ' A' ' 35' ' ' VAL . 12.4 ttm180 -66.82 -38.41 86.4 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 tp -61.48 -39.19 90.01 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.03 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -60.75 -41.36 95.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.196 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.2 mm-40 -63.85 -43.75 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.093 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.36 -40.73 89.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.295 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.39 -39.69 88.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.74 -34.08 77.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.321 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 66.7 mmtt -89.49 -17.11 29.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 27.2 67.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.378 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -86.09 93.3 8.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.171 0.51 . . . . 0.0 110.889 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.75 -29.31 69.81 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -66.38 -50.63 62.83 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 p -71.77 -30.2 65.31 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.07 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -58.89 -46.49 87.73 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.57 -39.99 93.14 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.04 0.447 . . . . 0.0 110.837 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.34 -45.12 77.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.83 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.432 HG21 ' NH1' ' A' ' 19' ' ' ARG . 67.5 t -64.06 -35.11 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.8 mt -60.59 -36.37 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 177.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -40.9 93.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.669 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.9 mt-10 -62.67 -45.63 91.92 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.5 mt -59.62 -39.98 80.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.342 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.76 -45.21 94.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.564 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.54 -43.64 89.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.931 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 92.0 mt -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.2 mt -60.5 -40.94 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -64.95 -47.62 76.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.72 -44.38 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.48 ' CD2' HH22 ' A' ' 53' ' ' ARG . 53.2 t-80 -62.42 -36.99 84.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.351 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -62.61 -43.45 98.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.708 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -66.39 -39.43 89.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 0.0 110.327 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.28 -33.8 76.06 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.057 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.38 -36.49 76.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HB2' ' HB1' ' A' ' 56' ' ' ALA . 26.2 t0 -64.46 -39.27 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.08 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -74.68 -33.15 62.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.758 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.48 HH22 ' CD2' ' A' ' 46' ' ' HIS . 89.0 mtm180 -75.41 -37.82 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.696 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -140.83 -78.48 0.28 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.66 140.53 0.35 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.108 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -160.54 90.83 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.002 0.429 . . . . 0.0 111.367 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.93 149.44 28.21 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.65 0.262 . . . . 0.0 111.0 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 m -60.51 -42.34 96.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.05 -44.92 60.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.49 96.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.84 86.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.666 0.27 . . . . 0.0 111.693 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HB2' ' HZ1' ' A' ' 63' ' ' LYS . 4.8 ttmp? -72.56 -44.91 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.92 -33.88 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.11 0.481 . . . . 0.0 110.77 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -34.32 87.72 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.825 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.94 -40.76 90.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.659 0.266 . . . . 0.0 110.808 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.42 -38.13 71.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -65.98 -45.94 79.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.29 -38.07 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.26 -29.6 70.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.729 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.95 -40.46 95.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.281 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -67.53 -37.99 83.55 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.116 0.484 . . . . 0.0 109.982 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.61 -41.78 92.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.117 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -65.91 -36.71 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.665 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.8 t80 -60.26 -46.36 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.519 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -61.69 -42.72 99.32 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.4 -44.94 95.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.718 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.28 93.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -65.17 -45.33 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.054 177.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -36.85 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.092 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -77.94 -14.86 59.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.574 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.37 31.31 71.34 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.561 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.569 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.8 t70 -94.39 96.64 9.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.023 0.44 . . . . 0.0 110.328 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -66.39 -28.66 68.8 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.886 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.42 -49.31 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.446 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 20.2 m -65.9 -34.76 78.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.19 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.5 mt -59.64 -48.28 82.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.794 0.331 . . . . 0.0 110.714 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.22 -44.78 94.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.38 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.87 -39.2 93.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.611 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.8 mt -65.06 -36.86 85.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.48 -35.84 82.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.71 -44.86 88.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.96 -42.95 99.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.992 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 61.6 tp -61.48 -43.49 98.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.78 -46.91 86.44 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.596 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.01 -41.14 87.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.904 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.18 -42.92 99.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.8 mt -63.15 -36.99 85.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 110.397 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 44.7 tt0 -63.04 -45.23 93.21 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.555 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.2 mt -60.6 -44.23 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 39.6 mtm180 -61.63 -43.94 97.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.181 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 9.6 mm-40 -61.08 -41.26 96.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.84 -35.1 67.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.98 0.419 . . . . 0.0 110.656 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.466 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . . . -68.03 -28.52 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.075 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.47 -2.02 58.24 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.583 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 71.44 -65.81 0.33 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.884 0.874 . . . . 0.0 110.698 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -160.42 106.49 1.51 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.314 -0.95 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.289 179.711 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' ' 107' ' ' LYS . 29.7 t . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -136.73 127.4 27.12 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.94 0.4 . . . . 0.0 110.416 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -167.54 51.52 0.06 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 5.3 mm-40 -59.14 -38.56 79.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.605 -1.18 . . . . 0.0 113.099 -171.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.76 -42.47 58.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.73 -29.5 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.222 0.534 . . . . 0.0 109.619 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -61.59 -38.91 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 67.6 mm-40 -67.79 -45.39 74.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.424 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 86.8 m -70.52 -41.31 72.74 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.563 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 -45.17 96.39 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 t70 -67.51 -35.79 79.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.015 0.436 . . . . 0.0 110.059 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.48 -39.25 83.12 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 9' ' ' THR . 51.2 mt -62.53 -46.25 89.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.5 t -60.2 -40.36 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 74.9 mm-40 -62.16 -43.49 98.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.963 0.411 . . . . 0.0 110.276 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.82 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.896 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.403 ' CD2' HD23 ' A' ' 94' ' ' LEU . 29.0 m-85 -66.28 -37.81 86.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.332 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 76.7 mt-30 -60.96 -43.28 98.99 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 22' ' ' GLU . 26.9 mmt180 -65.22 -38.93 91.97 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.47 -43.67 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.305 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -65.46 -38.7 90.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 51.5 mt-10 -60.48 -44.14 96.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CD1' HG23 ' A' ' 35' ' ' VAL . 76.8 mt -65.08 -39.25 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.467 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -64.7 -46.73 81.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.59 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.129 0.49 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -77.77 -17.88 57.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.162 178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 26.31 59.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.768 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -98.29 92.41 5.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.25 -40.34 74.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.58 -46.61 87.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.498 ' O ' HG21 ' A' ' 35' ' ' VAL . 22.3 m -70.84 -33.25 70.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.407 178.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.9 tp -60.95 -46.43 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.774 -177.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -40.11 93.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.405 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.96 -39.68 83.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.631 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 31' ' ' SER . 90.7 t -62.51 -32.99 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.555 177.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.1 mt -59.28 -36.5 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.183 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 27.3 mt-10 -67.35 -36.41 81.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.124 0.488 . . . . 0.0 109.959 177.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.8 mt-10 -64.3 -39.99 95.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.7 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.488 ' O ' HG13 ' A' ' 43' ' ' ILE . 47.3 mm -59.53 -38.0 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.296 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' OE2' ' HA ' ' A' ' 37' ' ' GLU . 43.7 mt-10 -58.28 -45.76 87.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -65.26 -40.73 94.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.3 mt -61.33 -46.34 96.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.067 0.461 . . . . 0.0 110.175 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 52.8 tt0 -67.64 -36.71 81.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.212 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.13 -42.49 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.606 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.1 -38.66 89.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.133 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -67.34 -32.4 73.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.0 mt-30 -61.38 -44.17 97.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.58 -34.64 76.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.37 -40.34 97.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.92 -39.59 72.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -66.02 -41.42 90.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.309 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -75.54 -38.56 59.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.176 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 62.2 90.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.469 0.652 . . . . 0.0 110.007 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -110.0 98.52 7.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.292 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.54 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.711 0.805 . . . . 0.0 112.977 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.61 129.97 10.55 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.836 0.351 . . . . 0.0 111.658 -176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.05 -33.5 75.58 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.097 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 t -58.15 -28.26 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.716 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.38 -44.67 62.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.17 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.61 73.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.158 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.67 -43.11 66.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.885 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -68.98 -44.52 72.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.734 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.53 -30.23 65.68 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.425 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -62.38 -36.07 92.58 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.904 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.38 -40.96 96.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.215 0.531 . . . . 0.0 109.837 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -67.51 -42.46 82.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.043 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.54 -49.59 68.35 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.194 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 95.8 t -61.69 -38.87 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.29 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.79 -43.68 98.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.227 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -63.34 -41.7 98.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 48.8 mt-30 -62.33 -38.91 91.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.008 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -59.34 -40.18 85.55 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 110.426 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.51 -42.58 98.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.121 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -65.92 -42.82 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 58.4 mm-40 -61.02 -42.89 99.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.29 94.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.2 mt -66.06 -42.32 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.043 0.449 . . . . 0.0 110.35 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.08 -33.05 74.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 66.1 mttm -89.09 -5.72 57.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.82 30.6 70.32 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.748 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -94.79 96.65 9.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.01 0.433 . . . . 0.0 109.838 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.56 -33.54 71.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.855 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.24 -45.25 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.746 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.519 ' O ' HD22 ' A' ' 90' ' ' LEU . 31.6 m -63.03 -34.26 77.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.0 mt -59.08 -43.68 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -42.53 95.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.039 0.447 . . . . 0.0 110.033 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -62.77 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.275 0.56 . . . . 0.0 109.7 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 86' ' ' SER . 3.0 mm? -63.13 -45.57 91.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.806 177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 97.0 mt -61.67 -35.5 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.22 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.96 -44.86 88.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.11 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.69 -37.58 88.07 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.062 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 17' ' ' PHE . 53.5 tp -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.941 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.59 -45.51 92.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.208 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.11 -37.3 86.96 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.18 86.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.325 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.17 -36.42 83.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 5.6 tp-100 -63.13 -44.11 96.49 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.832 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.39 -46.43 90.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.752 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.41 -42.25 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.62 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 6.4 tpt180 -60.89 -41.61 96.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 10.8 mm-40 -59.75 -44.87 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.61 -33.78 64.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.318 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.22 61.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 58.4 mm-40 -73.32 -24.46 60.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.106 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HB2' ' OG ' ' A' ' 1' ' ' SER . 35.3 mmtp 63.03 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.692 0.62 . . . . 0.0 111.722 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -96.85 9.6 41.39 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.739 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.891 178.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -158.65 -49.17 0.06 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.322 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -80.2 -25.06 39.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.5 -18.11 64.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.785 0.326 . . . . 0.0 111.083 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -62.68 -41.97 99.38 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.19 -37.56 66.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.837 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -63.08 -34.29 77.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.387 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 53.7 tt0 -61.06 -44.51 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.393 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -65.76 -38.91 90.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.72 -39.7 95.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.557 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.23 -38.54 91.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 78.9 mm-40 -60.62 -40.68 92.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.84 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.95 -43.32 98.87 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.489 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.95 -45.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.246 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.26 -46.09 85.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.54 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.56 95.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' HD12 ' A' ' 98' ' ' LEU . 31.9 m-85 -67.7 -39.45 84.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.51 -38.14 86.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.431 ' O ' HG13 ' A' ' 23' ' ' ILE . 28.9 ttt180 -62.4 -41.81 98.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.304 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.56 -44.95 95.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -62.66 -43.81 97.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.743 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 40.2 mt-10 -61.3 -43.2 99.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 35' ' ' VAL . 94.7 mt -65.18 -40.86 90.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.994 0.426 . . . . 0.0 110.292 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -60.72 -41.71 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.767 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.92 -31.5 72.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.821 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 62.6 mtpt -78.21 -13.04 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.16 27.01 64.94 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.507 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' HG21 ' A' ' 23' ' ' ILE . 10.1 t70 -97.38 92.62 6.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.185 0.517 . . . . 0.0 110.143 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.558 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.8 -50.89 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.307 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' HG21 ' A' ' 35' ' ' VAL . 12.5 m -71.71 -30.17 65.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.957 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -59.28 -47.17 86.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.723 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.64 -37.82 87.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.985 0.421 . . . . 0.0 110.691 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 mm100 -62.12 -40.41 95.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 31' ' ' SER . 51.3 t -69.28 -36.18 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.0 mt -60.3 -40.8 91.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.39 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.401 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 52.7 mt-10 -62.14 -42.42 99.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.315 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 35' ' ' VAL . 43.7 mm -59.69 -40.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.613 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 47.1 mt-10 -60.56 -40.65 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.7 tp10 -70.0 -42.3 73.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.176 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.7 mt -61.36 -43.55 98.68 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 89.9 mt -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -62.15 -40.75 97.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.009 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 61.0 mtpt -64.25 -44.02 93.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.357 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 78.8 mtp180 -61.33 -41.78 97.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.268 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.69 -44.03 97.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.08 -42.02 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.341 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -66.41 -43.27 86.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.078 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.73 -31.25 71.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 110.728 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -78.91 -25.95 43.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -61.02 -38.67 86.89 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.984 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -152.85 132.12 12.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.042 0.449 . . . . 0.0 110.726 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.12 163.22 14.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.03 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 67.44 23.36 9.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.634 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.77 25.08 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.953 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.45 -38.64 84.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.479 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 t -64.51 -39.35 93.63 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.738 0.304 . . . . 0.0 111.449 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -71.65 -39.64 70.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.212 0.53 . . . . 0.0 109.878 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.86 76.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.297 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.76 71.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.721 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.66 -44.34 96.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -74.74 -43.16 56.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -46.7 66.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.234 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.778 0.289 . . . . 0.0 111.549 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.92 -43.98 86.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -68.8 -47.93 64.88 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.472 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 72.6 t -61.26 -44.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.635 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 52.5 tt0 -65.88 -40.89 92.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.447 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.21 -40.26 95.5 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.011 0.434 . . . . 0.0 109.952 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -65.97 -40.68 91.47 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.784 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.48 -35.54 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.314 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 44.3 mmm-85 -63.78 -35.6 81.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.423 ' O ' HG12 ' A' ' 79' ' ' ILE . 73.5 t80 -61.32 -44.44 97.19 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.011 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.88 -43.7 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.99 81.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.399 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 75' ' ' PHE . 37.2 mm -65.97 -46.63 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.323 0.582 . . . . 0.0 109.865 176.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.98 -36.9 85.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.367 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -87.21 -13.61 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 30.62 61.61 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.412 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.0 t70 -88.31 87.68 7.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.245 0.545 . . . . 0.0 109.853 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HA ' HD11 ' A' ' 87' ' ' LEU . 65.6 tttp -66.63 -26.17 66.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.864 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.05 -48.75 80.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.1 m -71.48 -34.61 70.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.707 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.8 mt -59.5 -45.01 92.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.564 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 68.5 mm-40 -57.24 -44.11 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 0.0 110.775 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -69.6 -47.29 64.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.123 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 94' ' ' LEU . 96.1 mt -62.21 -36.8 83.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.094 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 86.1 mt -58.9 -42.34 89.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.36 -44.95 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.22 -44.35 92.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.6 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -63.61 -44.27 94.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.16 -39.63 94.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.93 -42.12 85.87 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.05 -36.93 83.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.5 mt -62.15 -35.19 78.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.21 -44.38 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 66.2 mttm -64.83 -40.55 95.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 97' ' ' ALA . 75.9 mt -60.01 -43.5 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.316 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -62.5 -39.4 93.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.31 -42.82 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -63.94 -29.1 70.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.94 -15.01 63.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -91.68 -2.65 56.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -95.16 114.79 26.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.82 97.34 7.95 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.841 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -178.2 -47.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -87.19 64.54 8.4 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.108 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.16 -18.71 64.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.37 -175.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -63.91 -41.83 97.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.14 -35.82 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.988 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HD3' ' OE2' ' A' ' 106' ' ' GLU . 12.4 mmm180 -62.63 -45.21 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.63 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.34 -40.86 73.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.4 m -61.02 -39.7 90.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.015 0.436 . . . . 0.0 110.12 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.9 -40.29 97.13 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.27 176.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 28.9 t70 -63.17 -41.56 99.25 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.511 0.196 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.33 -42.02 90.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.91 -48.3 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.471 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 10' ' ' GLY . 84.6 t -58.96 -44.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.61 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 12.9 mm100 -61.59 -43.79 98.2 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.884 0.374 . . . . 0.0 110.635 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.75 87.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD2' HD22 ' A' ' 94' ' ' LEU . 28.4 m-85 -63.41 -37.44 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.146 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 98.4 mt-30 -61.0 -44.57 97.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.306 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 23' ' ' ILE . 61.6 mtm-85 -69.94 -35.25 74.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.396 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.3 -38.59 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.562 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -45.93 87.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.569 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.7 -45.51 68.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.505 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.1 mt -59.62 -44.75 94.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.992 0.425 . . . . 0.0 110.382 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 87' ' ' LEU . 22.4 t80 -64.11 -45.62 87.8 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.227 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.51 -32.89 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -78.28 -8.78 58.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.627 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 26.88 70.77 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.951 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.84 91.9 8.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.59 -26.28 64.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.15 -51.38 69.97 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.517 ' O ' HG21 ' A' ' 35' ' ' VAL . 8.0 m -74.51 -35.11 63.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 28.0 tp -60.41 -47.43 86.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.458 -173.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.82 -43.68 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 111.741 -178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -68.72 -40.05 80.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.75 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.517 HG21 ' O ' ' A' ' 31' ' ' SER . 86.8 t -65.79 -36.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.365 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.1 mt -59.85 -40.56 88.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.033 0.444 . . . . 0.0 110.296 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.9 -38.73 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.354 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.9 mm-40 -60.69 -43.86 97.25 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' ILE . 92.3 mt -61.34 -38.26 79.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.25 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.552 ' HG2' HE22 ' A' ' 44' ' ' GLN . 26.2 tt0 -61.96 -42.56 99.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.64 -37.8 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.578 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 50.7 mt -67.51 -39.54 85.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.691 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -61.04 -35.49 65.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.795 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.552 HE22 ' HG2' ' A' ' 40' ' ' GLU . 1.1 mp0 -60.8 -35.65 77.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.899 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.01 -44.84 96.82 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -60.64 -44.66 96.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.07 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 32.8 mtt180 -60.51 -42.33 96.17 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.124 0.488 . . . . 0.0 110.15 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.07 -44.31 72.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.568 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.99 -37.72 84.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.279 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -63.33 -45.2 92.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HA ' ' HB2' ' A' ' 57' ' ' ALA . 8.4 t70 -65.44 -40.52 93.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.525 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -70.81 -42.93 69.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.251 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -62.85 -37.62 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 0.0 111.545 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 25.2 mt-30 -81.31 -74.9 0.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.914 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 5.8 tp10 176.58 -68.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.08 93.49 2.45 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 60' ' ' GLU . . . -135.39 29.02 3.33 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.882 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.4 m -72.19 -43.51 64.42 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.625 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CG ' ' HB1' ' A' ' 57' ' ' ALA . 9.5 pt-20 -73.83 -31.35 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.058 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.15 86.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.64 91.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.687 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -66.01 -36.57 83.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -63.49 -43.01 98.47 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.534 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -69.31 -40.94 80.34 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.487 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 15.7 t70 -61.56 -41.52 97.49 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.751 0.42 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.03 -38.25 90.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.936 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -68.27 -36.69 79.78 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.672 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -62.22 -37.9 79.71 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.853 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 78.4 mt-30 -62.55 -31.83 72.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.81 -41.87 78.05 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.11 -34.07 77.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.301 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -60.02 -44.9 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.56 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.39 -44.6 92.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.864 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.5 t80 -64.17 -42.54 96.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.719 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 41.7 mt-10 -65.94 -38.81 89.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -35.85 78.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.745 0.307 . . . . 0.0 110.457 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 73.9 mt -65.69 -39.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.01 -36.99 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 58.5 mmtt -82.56 -12.99 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.535 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.98 73.31 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.243 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -96.85 96.37 8.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 110.53 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.0 tttp -68.9 -27.11 65.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.346 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.67 -49.26 78.43 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.37 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.559 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 29.7 t -69.49 -34.97 75.1 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 67.6 mt -61.66 -46.08 91.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.389 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 20.7 mm-40 -61.35 -42.17 98.26 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.16 0.505 . . . . 0.0 109.783 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -62.16 -42.75 99.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.549 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.5 mt -60.82 -36.65 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.52 -37.68 88.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.619 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.16 -45.03 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.22 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 109.626 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.645 HD22 ' CD2' ' A' ' 17' ' ' PHE . 60.3 tp -59.82 -45.38 92.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.38 -39.69 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.033 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -61.72 -39.93 93.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.927 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.459 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.88 -37.74 84.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.657 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 91.6 mt -62.89 -38.87 92.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.087 0.47 . . . . 0.0 110.176 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -62.73 -44.52 95.99 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.43 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -61.73 -41.73 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 97' ' ' ALA . 73.6 mt -63.21 -47.4 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.394 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 56.5 mtm180 -62.34 -46.64 87.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.72 -176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.1 mt-10 -65.55 -44.12 87.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.822 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.17 -41.67 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.43 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.471 ' OE2' ' HD3' ' A' ' 7' ' ' ARG . 15.8 tt0 -91.75 -24.52 19.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 111.278 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -125.21 92.89 3.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.358 0.599 . . . . 0.0 111.804 -175.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -91.84 -21.6 20.55 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.933 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.244 0.775 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.421 179.398 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.7 147.68 22.67 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' CE1' HD11 ' A' ' 6' ' ' LEU . 21.0 t80 64.57 18.38 11.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.34 -47.59 85.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.142 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.39 -38.89 71.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.786 0.327 . . . . 0.0 111.756 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 3' ' ' PHE . 1.3 tt -72.48 -32.77 66.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.049 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.61 -44.53 96.08 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.96 -38.57 86.34 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.232 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.5 m -60.73 -47.01 88.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.692 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.23 -40.29 92.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.875 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.32 -43.07 92.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 111.083 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.59 -34.6 75.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.732 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.43 -41.7 90.16 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.4 t -63.35 -45.67 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.821 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.64 -38.2 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.741 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.2 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.58 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CD2' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -67.39 -36.88 82.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.6 mm-40 -60.67 -42.71 97.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 19' ' ' ARG . 11.6 mmt180 -66.68 -35.29 79.78 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.352 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.55 -39.0 89.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.442 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 -62.54 -39.94 95.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.055 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.27 -46.46 90.28 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.98 0.419 . . . . 0.0 110.424 177.086 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.69 -44.42 99.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -61.83 -40.33 94.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.47 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.47 -34.58 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 29.0 mtpp -77.7 -16.82 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.47 26.11 66.41 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.408 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.73 92.6 9.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.6 -35.49 78.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.819 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.61 -51.13 71.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.293 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.1 m -72.48 -35.12 68.13 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 26.4 tp -61.36 -48.27 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.505 -175.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.46 -42.16 88.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.367 -0.379 . . . . 0.0 112.007 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -66.37 -41.71 89.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.945 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 31' ' ' SER . 69.0 t -62.29 -32.38 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.389 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.6 mt -58.3 -39.6 79.8 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.38 -42.28 83.63 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.359 0.6 . . . . 0.0 109.921 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.67 -40.65 97.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.384 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.8 mt -61.32 -40.0 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 178.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.9 -37.75 88.68 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.951 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -42.13 90.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.25 0.548 . . . . 0.0 109.622 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.07 -40.42 82.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.631 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.1 mt -61.09 -41.77 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.249 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.34 -37.01 84.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.006 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -63.41 -43.72 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.894 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.05 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.608 ' NH2' HE22 ' A' ' 64' ' ' GLN . 3.8 mmp_? -61.59 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.26 -45.08 70.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.1 mt -73.92 -50.56 19.56 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -74.04 -49.06 25.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.3 m-20 -66.95 -24.66 66.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.71 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.67 -41.69 95.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -75.44 -31.24 60.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.478 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 67.84 -77.34 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.364 0.665 . . . . 0.0 111.625 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 71.04 -55.98 0.64 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.204 1.002 . . . . 0.0 111.383 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.54 -169.47 1.85 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.436 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.8 150.87 47.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.471 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.86 -37.52 84.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.394 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.5 m -66.05 -38.3 88.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.89 -40.37 72.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 109.815 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.96 68.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -64.68 -39.87 94.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.608 HE22 ' NH2' ' A' ' 47' ' ' ARG . 4.9 pp0? -63.16 -35.84 81.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.554 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.76 -41.72 63.01 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.34 -41.46 93.64 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.212 0.605 . . . . 0.0 111.717 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.38 -38.41 87.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -68.0 -39.92 83.11 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.9 t -60.84 -38.75 79.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.43 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.23 -43.09 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.158 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.59 -43.76 84.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.07 -43.28 99.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -62.68 -45.49 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.3 -38.04 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.5 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.496 ' HA ' HD12 ' A' ' 90' ' ' LEU . 70.1 t80 -66.44 -46.87 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.271 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.56 ' NH1' ' HA ' ' A' ' 77' ' ' GLU . 4.5 tmm_? -63.62 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.08 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.56 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 6.5 tp10 -60.69 -46.12 91.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.881 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.57 84.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.6 mt -65.95 -44.68 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.191 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -77.76 -14.82 59.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.29 31.59 71.71 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.678 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.9 t70 -100.92 96.9 7.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.145 0.498 . . . . 0.0 111.299 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -67.21 -25.18 65.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.198 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.4 -49.08 78.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -71.16 -36.86 72.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.557 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 92.6 mt -59.4 -45.13 92.35 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.421 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.25 -41.15 96.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.58 -40.99 72.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.416 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 75' ' ' PHE . 39.8 mt -60.64 -34.78 74.78 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.154 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.8 mt -58.02 -39.67 78.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.933 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.79 -44.52 66.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.1 -40.7 98.41 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.009 0.433 . . . . 0.0 110.4 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.579 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 54.7 tp -63.99 -45.16 90.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.1 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -56.25 -47.86 77.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.439 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -66.98 -39.15 87.12 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -63.21 -41.08 99.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.7 mt -62.96 -44.08 97.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.663 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 77.1 mt-30 -65.81 -40.18 91.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.777 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 85.1 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.7 mt -62.35 -46.19 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.684 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 57.5 ttp180 -63.59 -40.17 96.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.304 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 7.2 tp10 -61.18 -38.48 86.68 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 123.185 0.594 . . . . 0.0 110.336 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 93.5 mt -70.05 -41.32 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.56 -28.14 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.9 mt-10 -83.74 -2.41 56.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.2 tttp 65.95 73.3 0.38 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 111.198 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -84.04 -10.37 57.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.122 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.126 -174.529 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.702 0.287 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.59 -35.07 10.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.483 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -73.17 -33.75 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.215 0.531 . . . . 0.0 109.764 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.14 -36.1 82.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.696 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -74.3 -31.14 62.38 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.514 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.71 -34.92 76.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.259 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -61.75 -45.14 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.495 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.74 -39.22 73.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -64.2 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.498 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.61 95.53 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.116 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.259 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HA ' HE21 ' A' ' 15' ' ' GLN . 10.6 tp10 -60.95 -37.19 81.51 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.771 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.96 -44.35 94.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.207 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 62.8 t -66.51 -48.08 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.541 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 12' ' ' GLU . 23.1 pt20 -68.27 -38.75 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.816 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.0 93.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -67.4 -38.28 84.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.493 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 78.4 mm-40 -61.52 -40.76 95.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -61.99 -37.22 84.01 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.72 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -65.28 -39.11 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 49.6 mt-10 -65.66 -45.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 HD13 HG23 ' A' ' 35' ' ' VAL . 66.6 mt -66.41 -38.45 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.006 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.99 -39.63 86.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.006 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.07 -33.85 76.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.771 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 65.4 mttm -79.82 -18.25 51.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.24 26.97 64.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.313 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HB3' HG23 ' A' ' 23' ' ' ILE . 12.6 t70 -88.12 94.77 9.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.049 0.452 . . . . 0.0 110.584 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.1 -43.47 82.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.814 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.33 -51.4 70.11 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 111.811 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.462 ' O ' HG21 ' A' ' 35' ' ' VAL . 7.9 m -71.35 -32.56 68.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.69 -45.62 93.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.676 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.32 -40.34 97.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.49 -47.06 87.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG23 HD13 ' A' ' 23' ' ' ILE . 50.8 t -62.77 -35.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.908 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.93 -42.78 94.7 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.605 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 48.9 mt-10 -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.633 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.642 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.4 mt -64.43 -38.88 83.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.537 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.87 -39.26 90.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.446 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -62.3 -43.97 97.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.8 mt -63.17 -40.19 96.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 39' ' ' ILE . 69.5 mt -60.35 -41.88 88.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.46 -46.77 72.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.356 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 63.3 mttp -61.87 -44.16 97.38 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.605 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -58.18 -47.78 82.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -68.13 -43.49 78.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -69.05 -40.93 78.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.5 mt -61.59 -41.69 97.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -73.88 -44.88 53.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.685 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.0 -36.86 84.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.407 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -68.7 -43.9 75.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.423 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -76.06 -41.15 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 62.01 122.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.392 0.615 . . . . 0.0 111.998 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' CD ' ' HZ3' ' A' ' 107' ' ' LYS . 44.6 tt0 -134.45 -54.96 0.84 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.39 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.59 0.66 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.109 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.87 33.96 22.61 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -61.54 -42.27 98.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.953 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 m -65.28 -42.18 93.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.1 -43.94 70.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.64 91.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 5.5 tmtm? -70.0 -37.16 75.6 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -63.17 -41.31 99.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.79 -35.13 89.21 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.24 -40.92 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.043 0.537 . . . . 0.0 110.733 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -66.82 -35.82 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.166 0.508 . . . . 0.0 109.859 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.417 ' HE1' HG12 ' A' ' 43' ' ' ILE . 50.9 t-105 -63.42 -36.63 84.35 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.084 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 65' ' ' GLY . 65.3 t -62.55 -39.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.979 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.72 -39.16 93.2 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.09 -45.97 91.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.847 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -69.14 -39.11 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.648 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 62.4 tt0 -63.83 -43.22 96.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.124 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -61.72 -38.4 87.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 79' ' ' ILE . 75.5 t80 -61.23 -42.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.637 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -60.19 -45.11 94.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.76 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 52.1 mt-10 -62.63 -39.59 94.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.109 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.2 90.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 75' ' ' PHE . 72.0 mt -67.21 -40.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.245 0.545 . . . . 0.0 109.869 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.1 -37.58 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.281 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -84.28 -13.5 52.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.855 0.36 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.61 59.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -94.1 94.83 8.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.189 0.518 . . . . 0.0 110.283 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.09 -25.31 62.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.576 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.57 -48.28 82.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.3 m -65.64 -37.92 87.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 86.4 mt -59.91 -44.79 94.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.199 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -58.39 -43.15 88.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.595 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.92 -46.55 65.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 94' ' ' LEU . 95.3 mt -61.44 -36.48 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.478 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 81.9 mt -57.26 -39.42 75.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.624 0.25 . . . . 0.0 111.431 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.99 -42.57 69.46 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.728 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.37 -42.39 83.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.405 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 90' ' ' LEU . 10.6 mp -62.15 -38.7 90.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.966 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.84 -40.46 84.29 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.987 0.423 . . . . 0.0 111.017 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.34 -40.22 89.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.654 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.55 -37.77 85.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.52 -34.0 76.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.581 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 62.7 tt0 -63.81 -45.49 89.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.84 -42.29 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.486 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 97' ' ' ALA . 83.1 mt -61.74 -44.97 99.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.736 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttp-105 -63.01 -37.04 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.915 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 20.0 mm-40 -61.46 -39.3 90.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.372 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.78 -40.78 75.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.485 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.44 66.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HZ3' ' CD ' ' A' ' 55' ' ' GLU . 39.5 ttmt 65.43 87.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.656 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -114.19 -5.12 13.03 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.247 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.44 ' OE1' ' HD2' ' A' ' 102' ' ' ARG . 40.6 mt-10 -81.33 140.21 34.92 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.38 97.3 3.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.19 -29.17 67.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.38 -42.36 59.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.165 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.01 -35.53 66.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.82 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -70.62 -33.21 70.76 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.976 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 17.7 tm0? -60.05 -37.33 79.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.463 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m -61.53 -44.38 97.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.88 -38.38 89.08 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.914 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 20.5 t70 -59.03 -38.43 79.29 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.008 0.523 . . . . 0.0 110.793 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 64.3 mm-40 -59.72 -41.22 90.37 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.67 -47.34 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.489 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.38 -46.08 89.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.148 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 15.0 mm100 -62.38 -40.57 96.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.752 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.01 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CD2' HD22 ' A' ' 94' ' ' LEU . 39.4 m-85 -67.67 -38.95 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 49.5 tt0 -61.52 -43.62 98.54 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -66.67 -38.74 87.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.099 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.44 -42.85 96.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.767 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -63.75 -41.68 97.97 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.29 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 61.9 mt-10 -62.41 -45.45 93.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.617 178.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.12 -41.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.672 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -64.49 -39.84 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.252 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.64 -34.41 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.332 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.45 -17.44 56.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.293 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.97 72.31 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.988 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.02 93.64 9.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 110.547 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.8 -26.95 68.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.799 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.19 -51.38 66.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -72.29 -32.77 66.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.7 tp -60.63 -45.7 93.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.512 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.62 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.959 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 78.2 mt-30 -63.63 -46.56 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.668 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -62.78 -35.39 70.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.198 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -59.96 -36.63 77.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.941 0.4 . . . . 0.0 110.281 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.53 -37.65 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.105 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 34' ' ' GLN . 5.6 mm-40 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.468 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 35' ' ' VAL . 91.6 mt -59.71 -37.28 70.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.294 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.64 -40.38 83.23 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.1 -43.42 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.74 -42.24 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 39' ' ' ILE . 92.1 mt -61.01 -45.09 99.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 178.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 48.3 tp60 -63.63 -43.83 95.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.881 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -62.64 -37.98 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.22 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -59.83 -41.59 91.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.252 0.549 . . . . 0.0 109.527 177.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 71.4 mtp180 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.681 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.1 mt-30 -61.37 -43.02 99.58 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.704 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.0 -44.87 95.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.578 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -73.92 -37.52 64.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.304 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.39 -39.64 77.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.23 -38.87 71.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.397 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 108' ' ' LYS . 46.8 ttp180 -72.92 -25.04 60.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.704 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 72.03 93.25 0.08 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.074 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -94.27 152.41 18.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.774 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.6 25.02 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.433 0.635 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.1 48.18 2.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.361 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.4 -42.81 99.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -66.58 -29.26 69.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 110.642 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -72.05 -45.05 62.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.84 85.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.352 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.12 99.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.672 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -72.39 -35.95 68.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.827 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -63.59 -43.55 96.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.66 -35.72 86.43 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.548 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -61.1 -44.29 97.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -73.86 -33.34 64.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.115 0.483 . . . . 0.0 110.637 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -66.29 -48.4 70.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.835 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.53 -38.64 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.361 . . . . 0.0 110.263 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -61.66 -38.25 87.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.961 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.328 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.35 -41.93 84.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.81 -45.19 94.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.487 . . . . 0.0 109.839 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -59.75 -42.94 94.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.19 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 79' ' ' ILE . 74.7 t80 -65.12 -44.51 88.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.671 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -64.07 -44.46 92.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.015 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.35 -39.46 94.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.263 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.01 81.6 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 110.579 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.454 HD11 ' CE2' ' A' ' 75' ' ' PHE . 74.0 mt -66.42 -44.97 90.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.916 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.56 -35.22 79.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -76.97 -14.44 59.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.95 27.92 71.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.492 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.65 96.07 7.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.087 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' A' ' 87' ' ' LEU . 61.9 mttp -71.06 -25.92 62.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.458 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.19 -45.97 91.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -65.87 -37.77 87.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.963 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.9 mt -60.93 -40.25 92.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.454 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.16 -39.44 86.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.456 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -69.24 -40.89 77.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 75' ' ' PHE . 14.5 mt -61.02 -37.27 81.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.422 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.5 mt -59.75 -40.51 88.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.988 0.423 . . . . 0.0 110.596 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 36.0 mm-40 -70.01 -44.76 68.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.597 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.56 -34.99 79.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 17' ' ' PHE . 67.4 tp -62.71 -45.13 94.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.968 176.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.45 -41.4 94.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.087 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 94.1 mt-30 -65.66 -37.68 87.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -39.9 89.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.3 mt -63.44 -32.52 73.98 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.19 -42.4 93.64 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.427 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 60.2 mttm -67.18 -42.04 84.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.8 mt -60.24 -45.69 95.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.073 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 23.3 ttp180 -60.6 -46.38 90.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 6.0 mm-40 -60.77 -42.33 97.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.195 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 -41.81 62.88 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.9 -30.65 62.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 2.1 pt-20 -92.11 -21.74 20.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.642 -0.823 . . . . 0.0 112.029 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.472 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 13.6 mptt -82.54 13.85 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.413 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 5.2 tmtm? -76.52 86.92 3.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.7 m120 . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.322 -176.457 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.805 0.336 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.42 -27.12 64.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.59 -176.765 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -50.44 -50.09 53.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -63.28 -40.05 96.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.48 -37.2 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 98.4 mt -66.2 -41.49 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -63.75 -38.92 92.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.008 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 57.1 tt0 -61.64 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.148 177.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -64.4 -42.94 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.015 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -60.75 -39.96 97.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.18 -36.58 77.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.729 0.411 . . . . 0.0 110.842 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 45.4 mt-10 -64.35 -43.76 93.57 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.25 -46.94 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.965 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 10' ' ' GLY . 93.3 t -57.68 -45.69 86.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.919 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -63.02 -43.59 98.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.201 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.39 84.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.57 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -68.37 -41.97 79.84 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.579 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 81.0 mt-30 -67.83 -35.78 79.2 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.445 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 23' ' ' ILE . 54.4 ttt180 -64.71 -37.06 86.31 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.1 tp -60.54 -40.13 90.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 56.0 ttp180 -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.047 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -61.77 -42.24 98.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.452 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' ARG . 74.8 mt -65.95 -39.89 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.076 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -62.11 -45.32 93.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.966 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.93 -29.72 68.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -77.32 -14.49 59.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.178 0.514 . . . . 0.0 110.122 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.38 63.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.922 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -98.75 93.34 6.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 117.315 0.558 . . . . 0.0 110.423 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.406 ' HA ' HD11 ' A' ' 32' ' ' LEU . 21.4 t70 -63.64 -34.38 77.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.023 -177.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -49.65 76.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.241 -178.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -67.53 -31.41 71.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.313 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 63.1 mt -60.37 -47.41 86.17 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.437 0.161 . . . . 0.0 111.064 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -63.49 -39.74 95.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.8 -46.74 88.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 39' ' ' ILE . 93.0 t -67.1 -36.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.4 mt -61.03 -37.86 84.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.309 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.18 -37.43 80.96 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -63.94 -38.89 92.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.1 mm -59.64 -37.51 71.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.74 -44.67 86.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.63 -42.86 91.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.48 . . . . 0.0 109.846 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.33 -39.97 94.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.06 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 39' ' ' ILE . 68.7 mt -59.87 -46.15 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.86 -35.87 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.516 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.05 -45.76 87.38 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -64.07 -43.27 95.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.813 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -60.89 -43.08 98.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.146 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -68.43 -43.88 76.18 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.353 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.02 -38.2 87.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.885 0.374 . . . . 0.0 111.05 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.469 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 20.1 t80 -71.31 -34.15 70.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.03 -40.74 52.78 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.567 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.46 -21.83 66.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 109.833 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 5.1 ttp85 -66.18 -38.05 87.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.422 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -165.25 93.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.26 -23.22 63.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.599 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.33 -12.21 61.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.127 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 35.97 4.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.648 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -20.28 62.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.115 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -58.86 -35.33 72.78 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.282 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 mt-10 -68.23 -40.65 82.0 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.305 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.91 99.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.139 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.33 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.53 -35.66 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.672 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 78.3 mm-40 -65.51 -41.13 93.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 109.978 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.524 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -64.44 -35.94 92.57 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.13 -40.81 95.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -67.18 -42.21 84.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.058 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -60.65 -51.13 70.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.296 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 65' ' ' GLY . 88.3 t -59.51 -42.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.813 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -62.73 -45.3 93.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.43 -46.71 63.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.775 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.97 -46.22 85.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.826 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.48 -45.34 93.46 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.154 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -65.16 -42.42 93.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.62 0.248 . . . . 0.0 111.332 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.468 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.4 t80 -63.94 -47.93 78.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.847 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -66.69 -37.13 84.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.44 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.3 -47.12 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.78 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.292 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.4 mt -64.68 -47.04 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.855 0.359 . . . . 0.0 110.054 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.49 -31.97 72.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.57 -13.37 59.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.316 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.81 69.5 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.265 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 22.4 t70 -102.68 95.96 6.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 111.138 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HA ' HD13 ' A' ' 87' ' ' LEU . 63.0 tttp -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.78 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.78 -48.58 79.27 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.027 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.458 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.8 m -71.71 -36.21 70.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.6 mt -59.42 -44.17 92.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.439 -177.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -58.47 -45.36 88.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.954 0.407 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -68.28 -42.84 78.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.0 mt -63.2 -36.24 82.97 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.788 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.72 -44.8 93.59 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.25 -44.46 91.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.096 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.51 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.442 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.51 -46.78 81.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.245 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.93 -39.44 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.973 0.416 . . . . 0.0 110.562 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.81 -36.22 80.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.902 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.53 80.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.96 -41.1 97.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.088 0.471 . . . . 0.0 110.111 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -70.16 -44.47 68.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -61.94 -46.1 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.86 -39.35 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 36.9 ttp180 -62.1 -46.32 89.57 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.262 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -35.31 77.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.246 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.57 -35.72 80.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.043 0.449 . . . . 0.0 110.291 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.4 -28.29 61.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.451 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 41.8 mt-10 -78.61 -23.81 45.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.772 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 52.61 -124.4 2.28 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.939 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -133.45 -168.58 2.12 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.021 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.551 -0.737 . . . . 0.0 109.719 177.678 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.536 0.208 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.635 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 16.8 mm-40 56.99 63.46 1.91 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.017 0.527 . . . . 0.0 111.413 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.459 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 90.9 m-85 -62.4 -33.22 74.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.039 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 32.5 tt0 -60.58 -45.42 94.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.044 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -72.01 -28.46 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 68.3 mt -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 31.4 mtm180 -66.6 -36.74 83.34 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.271 0.558 . . . . 0.0 109.629 177.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 18.4 mm100 -62.19 -33.17 74.03 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.86 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.9 m -60.01 -43.88 94.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.16 -42.89 91.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.153 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.82 -35.32 74.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.44 -47.44 83.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.0 t -60.29 -44.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.298 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.78 -41.83 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.49 96.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CD2' HD22 ' A' ' 94' ' ' LEU . 54.9 m-85 -64.91 -36.17 83.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.54 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.8 mm-40 -60.57 -42.2 96.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -67.17 -42.92 83.48 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.613 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.54 -38.86 85.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.407 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.23 -45.28 91.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.395 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.01 -44.9 87.68 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 31' ' ' SER . 74.5 mt -62.96 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.37 -39.8 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.87 -23.84 67.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.545 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.05 -12.99 27.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.893 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.75 19.35 77.89 Favored Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 113.421 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 12.2 t70 -87.45 93.19 9.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.099 0.476 . . . . 0.0 110.804 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.91 -30.51 71.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.153 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.35 -50.15 74.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.008 0.432 . . . . 0.0 110.767 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 15.2 m -69.73 -31.4 69.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 mt -60.6 -45.95 92.09 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.89 -36.77 80.09 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -60.92 -47.89 84.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.695 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 39' ' ' ILE . 61.6 t -70.06 -36.5 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.697 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.8 mt -60.52 -36.32 78.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.46 -41.37 84.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.84 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt-10 -62.03 -45.99 91.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.239 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.575 ' O ' HG13 ' A' ' 43' ' ' ILE . 93.4 mt -60.57 -37.83 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.196 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' HB2' HH22 ' A' ' 76' ' ' ARG . 11.7 tp10 -58.79 -46.31 87.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.5 -43.62 93.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.18 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.4 mt -61.48 -40.5 94.78 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.082 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 39' ' ' ILE . 71.1 mt -61.66 -46.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.657 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -36.79 81.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.45 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -65.12 -43.02 93.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.329 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.19 -37.07 83.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.515 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -60.65 -36.89 79.82 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.198 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -62.8 -30.7 71.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.315 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.09 -31.89 64.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.394 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -74.78 -42.32 58.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.709 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.3 -48.23 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -76.8 -28.79 55.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? 74.21 134.8 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.63 158.23 31.98 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.215 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 115.6 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 62.47 76.22 0.37 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.68 0.613 . . . . 0.0 109.742 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -59.93 -42.32 93.7 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.184 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -58.96 -42.38 89.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 tt0 -74.64 -44.64 49.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.82 91.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.989 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.53 84.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.278 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.9 tptp -71.83 -30.79 65.85 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.122 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 85.3 mm-40 -62.96 -42.73 99.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.493 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -66.33 -35.77 90.71 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.81 -41.52 97.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.801 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.3 mm-40 -65.38 -34.32 78.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.269 0.557 . . . . 0.0 109.65 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.408 ' HE1' HG12 ' A' ' 43' ' ' ILE . 64.0 t-105 -67.47 -41.36 84.73 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.869 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -63.31 -39.86 86.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.69 -42.74 99.79 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.304 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.01 -44.79 95.97 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.923 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -66.74 -42.12 86.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.016 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.67 -43.85 92.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 109.896 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.19 -36.79 75.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.041 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.5 t80 -63.76 -43.58 96.0 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.488 178.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.421 HH22 ' HB2' ' A' ' 40' ' ' GLU . 57.9 mtt180 -62.99 -43.23 99.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.97 -39.7 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.07 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.533 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.5 mt -68.64 -36.95 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.612 176.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.6 -34.71 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.495 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.1 -13.61 58.55 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.72 32.07 73.91 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.5 t70 -101.48 90.82 4.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HA ' HD11 ' A' ' 87' ' ' LEU . 54.7 mtmt -70.85 -25.46 62.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.86 -49.4 77.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.314 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -71.46 -34.41 70.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.818 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 83.0 mt -59.64 -41.67 91.05 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.291 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.75 -40.38 97.05 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.689 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -68.91 -35.72 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.366 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.7 mt -69.38 -36.35 76.71 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.4 mt -59.59 -35.94 75.29 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.344 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.77 -44.9 84.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 109.865 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -66.67 -40.46 88.6 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.524 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.554 HD22 ' CD2' ' A' ' 17' ' ' PHE . 37.0 tp -61.77 -45.97 91.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.904 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.77 -42.79 94.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.51 -36.95 85.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 110.157 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.94 -36.31 83.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.994 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.1 mt -62.05 -32.35 72.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.19 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.18 -40.35 90.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.387 0.613 . . . . 0.0 109.456 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.11 -41.32 77.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.384 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 97' ' ' ALA . 67.3 mt -61.65 -39.09 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.501 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.2 mtm105 -60.53 -35.24 75.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -69.3 -39.85 78.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 110.296 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.52 -30.23 68.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.629 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.43 61.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.182 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.65 -26.19 37.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.7 mttm 53.87 28.07 7.98 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.517 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.41 90.75 3.39 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--N 1.311 -1.08 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.111 -178.75 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 20.1 m . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 120.548 0.213 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -93.97 10.74 32.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 110.724 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -119.9 24.69 10.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 1' ' ' SER . 74.4 mm-40 -59.67 -43.93 93.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -63.01 -41.68 99.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.73 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -63.8 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.116 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.99 -47.56 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.489 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -70.95 -43.88 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -60.69 -45.19 96.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.138 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.13 -39.31 82.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.773 0.321 . . . . 0.0 110.967 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.06 -39.18 88.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.679 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.3 tp -60.66 -45.46 94.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.986 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 10' ' ' GLY . 58.7 t -61.59 -44.24 98.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.584 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 16.1 mm100 -62.64 -45.73 91.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.623 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.77 96.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.451 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 22.4 m-85 -62.97 -37.52 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' NE2' HG11 ' A' ' 14' ' ' VAL . 49.8 mt-30 -65.64 -36.52 83.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.69 177.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 64.8 mtt180 -62.11 -35.05 77.55 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.4 tp -60.87 -41.06 95.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.98 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.431 ' HE ' ' HB2' ' A' ' 21' ' ' ARG . 35.1 mtm180 -65.63 -48.27 72.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.196 0.522 . . . . 0.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -42.18 95.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.107 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 28' ' ' ASP . 61.7 mt -67.39 -38.48 80.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 177.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 25.9 t80 -60.6 -43.04 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.608 176.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.6 -27.12 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.049 0.452 . . . . 0.0 110.568 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.95 -17.57 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.22 27.53 73.63 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.768 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 23' ' ' ILE . 6.7 t70 -93.59 93.0 7.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.979 0.419 . . . . 0.0 110.752 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.14 -28.84 69.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.398 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.26 -50.67 52.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -68.13 -29.93 68.96 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.21 -38.86 80.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.011 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.81 -39.34 93.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 111.394 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 85.9 mm-40 -63.17 -40.84 98.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.4 t -62.73 -35.64 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.56 -37.83 82.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.266 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.42 -37.67 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.971 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 58.8 mt-10 -65.91 -45.69 81.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.044 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.2 mm -59.74 -37.87 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.375 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.01 -47.38 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.182 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -69.67 -46.37 66.26 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.074 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 75.1 mt -61.51 -40.68 95.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.195 -175.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.92 -46.16 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.629 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -41.63 97.32 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.131 0.491 . . . . 0.0 110.838 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -69.86 -44.26 70.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.78 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -64.94 -38.68 91.77 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.237 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.49 -42.88 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.13 -45.12 82.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 93.3 mt -67.41 -46.55 72.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.9 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.62 -39.31 94.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.744 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.65 -20.36 60.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.9 mmp_? -72.58 -25.36 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -133.95 -158.17 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -149.15 127.13 11.91 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.87 31.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.464 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.927 0.394 . . . . 0.0 111.098 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.51 -25.44 66.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.997 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 m -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.108 0.48 . . . . 0.0 110.359 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.11 -39.87 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.336 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.93 79.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.525 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.372 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.18 -42.47 75.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -66.2 -42.52 88.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.132 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.57 -36.21 87.78 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.863 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -41.0 95.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.38 -41.06 89.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.447 ' HZ2' ' CZ ' ' A' ' 17' ' ' PHE . 74.8 t-105 -68.01 -46.75 70.38 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.783 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.91 -38.4 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.88 -39.75 93.02 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.28 -47.34 84.74 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.822 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -68.42 -36.87 79.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -61.95 -42.06 98.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -64.74 -37.69 88.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.022 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.56 -45.37 94.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -63.84 -44.02 94.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.42 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.44 -42.54 98.92 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.178 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.47 88.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.27 -46.09 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.355 0.597 . . . . 0.0 109.877 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.6 -37.41 87.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.827 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -87.39 -9.29 55.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.939 0.399 . . . . 0.0 111.32 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.81 66.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.091 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.27 87.61 7.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HA ' HD12 ' A' ' 87' ' ' LEU . 24.7 pttm -70.66 -26.41 63.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.129 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.29 -42.85 99.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -70.52 -39.46 74.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 94.8 mt -59.54 -43.44 93.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.196 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.58 -46.45 83.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.178 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -70.2 -40.82 74.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.573 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.5 mt -60.75 -36.18 78.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.728 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.8 mt -60.02 -43.23 95.39 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.187 0.517 . . . . 0.0 110.031 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.36 -44.43 75.25 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.253 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -63.26 -41.83 99.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.62 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.456 ' O ' HD22 ' A' ' 98' ' ' LEU . 42.9 tp -61.53 -45.33 94.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.295 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.13 -43.05 91.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -66.39 -39.42 89.04 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.48 96.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.29 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -66.79 -32.9 74.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.12 -40.62 96.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 88.3 tttt -64.06 -41.11 97.48 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.116 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.51 -38.29 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.368 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -61.0 -36.65 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.982 0.42 . . . . 0.0 110.132 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.85 -38.77 76.58 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.141 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 98.6 mt -65.56 -33.69 76.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.08 -15.63 62.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -91.43 -25.08 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 175.7 119.26 0.02 OUTLIER 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.873 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 109' ' ' ASN . 12.1 tttm -70.71 -47.97 56.99 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 108' ' ' LYS . 29.6 t30 . . . . . 0 C--O 1.243 0.713 0 O-C-N 123.997 0.811 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.41 ' H1 ' ' CD ' ' A' ' 106' ' ' GLU . 17.1 m . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 121.206 0.527 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -93.84 -42.98 8.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.806 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.541 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 97.0 m-85 -84.73 96.55 9.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.83 -47.4 86.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -66.78 -37.72 85.14 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.521 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.5 -42.86 91.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.796 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 10.2 mmm180 -63.21 -43.77 97.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.8 -45.45 92.58 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.589 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.36 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.415 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -62.93 -40.52 99.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.548 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.1 t70 -66.23 -40.88 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.612 0.244 . . . . 0.0 110.557 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.79 -36.83 80.0 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.098 177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.92 -46.13 91.89 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.992 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 10' ' ' GLY . 87.4 t -58.73 -44.16 89.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 64.1 mt-30 -62.27 -39.53 93.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 110.221 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.07 92.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.905 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -67.12 -38.92 86.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.687 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.59 -38.54 91.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.174 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -65.03 -44.02 90.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.36 -37.75 84.51 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.868 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -58.16 -45.68 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.288 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.02 -40.79 78.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.084 0.469 . . . . 0.0 110.517 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.22 -42.0 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.34 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.69 -43.29 97.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.559 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.66 -34.11 77.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.73 -18.48 54.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.676 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.37 73.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.135 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -85.79 93.23 8.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 110.481 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.72 -26.68 67.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.522 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.46 -53.11 53.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.496 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.8 p -74.09 -31.16 62.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.0 tt -59.23 -47.64 84.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.952 -174.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.0 -36.52 82.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.25 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.12 -39.16 93.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 39' ' ' ILE . 94.3 t -68.02 -35.09 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 90.0 mt -60.23 -36.24 77.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.37 -44.35 95.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.667 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.754 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.537 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.1 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.24 -40.68 91.1 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.687 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.04 -42.58 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.25 -39.89 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.406 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.3 mt -60.7 -46.15 96.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.527 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.305 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.23 -45.69 93.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.277 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -66.37 -43.48 85.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.654 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -62.11 -43.95 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.826 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -42.27 75.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.689 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.56 -43.44 98.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 110.935 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -69.56 -39.8 77.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.24 -34.13 74.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.016 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.91 -34.21 74.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.464 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -65.28 -25.13 67.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.699 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 71.39 100.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.69 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -163.53 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.922 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -112.82 -29.81 7.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.664 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.34 175.88 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.295 0.638 . . . . 0.0 110.732 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.6 m -65.05 -44.93 87.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 10.3 tp10 -75.14 -37.07 61.5 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.21 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.7 99.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.779 0.324 . . . . 0.0 110.813 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.71 83.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.03 -44.44 80.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.782 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.87 -39.93 79.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.543 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -65.14 -40.26 96.75 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.107 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.69 -41.78 98.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.67 0.271 . . . . 0.0 111.355 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.19 -39.1 92.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -68.92 -44.83 72.32 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.083 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -67.39 -40.59 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.83 -27.23 69.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.612 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.07 -43.98 95.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.67 -34.32 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.326 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -60.58 -45.37 94.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.252 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -64.3 -37.12 86.36 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.505 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.8 t80 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -64.97 -36.89 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -44.46 75.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.17 -35.91 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.5 mt -62.51 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.216 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.753 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -78.05 -14.59 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.881 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.47 25.76 75.18 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.1 t70 -89.39 92.85 9.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' HA ' HD13 ' A' ' 87' ' ' LEU . 60.5 mttp -71.47 -33.39 69.27 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.63 -35.42 80.74 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.82 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 m -70.62 -39.68 73.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 97.4 mt -59.58 -48.48 81.51 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.185 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.18 -44.11 96.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.2 -40.25 95.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.867 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.58 -36.8 85.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.5 mt -64.7 -45.09 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 110.222 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.26 -44.91 90.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.414 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.05 -34.74 78.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.923 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.06 -47.04 88.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.207 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.36 -42.51 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.464 . . . . 0.0 110.963 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.11 -36.8 85.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.076 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.59 -37.97 86.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.185 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.48 -40.46 96.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.512 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 14.2 mm100 -63.53 -44.24 94.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.38 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -61.57 -45.83 92.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -60.21 -44.99 96.65 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -60.37 -46.71 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.105 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 7.1 mm-40 -64.54 -44.61 90.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.076 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.94 -35.66 64.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.03 -31.91 61.45 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.41 ' CD ' ' H1 ' ' A' ' 1' ' ' SER . 28.1 mt-10 -93.69 -24.53 17.82 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.617 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.511 ' HZ2' ' HB2' ' A' ' 107' ' ' LYS . 10.3 mtmp? 58.05 108.03 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.462 0.705 . . . . 0.0 112.09 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -74.42 98.43 3.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.018 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.715 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 62.95 -87.58 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -131.61 81.08 1.96 Allowed 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.63 -34.38 72.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.364 -172.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -63.08 -41.63 99.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 110.003 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.44 -36.75 65.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.492 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -63.39 -47.13 83.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -64.79 -45.55 85.8 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.705 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 m -68.1 -37.03 80.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.068 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -61.71 -44.31 98.08 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.381 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 20.8 t70 -69.47 -38.12 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.192 0.52 . . . . 0.0 109.995 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.66 -38.93 86.52 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.241 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' O ' ' HD1' ' A' ' 17' ' ' PHE . 73.7 mt -63.34 -44.35 95.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.178 176.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.483 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 98.3 t -58.24 -40.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.63 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 73.8 mt-30 -61.36 -44.62 96.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.1 77.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.519 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 37.2 m-85 -63.33 -37.11 85.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.494 178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 15.7 mm100 -60.92 -38.1 84.59 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 98.6 mtt180 -62.98 -40.67 98.45 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.623 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.3 tp -60.83 -45.61 93.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.829 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -65.15 -45.3 85.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.71 -47.02 87.19 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.524 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 35' ' ' VAL . 72.3 mt -67.07 -38.3 80.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.17 -39.46 86.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.503 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.13 -30.25 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -77.81 -18.44 56.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.238 0.542 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 14.93 80.37 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.47 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.72 93.37 8.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.243 0.544 . . . . 0.0 110.498 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.21 -26.83 68.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.623 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.96 -51.37 59.05 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.536 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.477 ' O ' HG21 ' A' ' 35' ' ' VAL . 18.3 m -68.09 -32.19 72.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.172 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.88 -36.5 84.13 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.225 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.42 -39.84 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.811 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 39' ' ' ILE . 49.0 t -61.98 -34.4 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.585 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.2 mt -59.14 -39.36 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.68 -42.75 95.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.454 . . . . 0.0 110.413 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.07 -37.32 86.74 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.165 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.2 mm -64.19 -38.76 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.945 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.5 mt-10 -58.85 -45.67 89.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.18 -45.67 90.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.545 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.55 -39.55 84.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.329 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.1 mt -60.14 -44.47 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -62.33 -42.03 99.05 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.145 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -45.48 85.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.263 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -68.24 -39.48 82.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -62.89 -38.1 89.55 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.025 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.735 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.09 -42.25 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.09 -37.73 69.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 56' ' ' ALA . 21.5 t70 -63.49 -41.72 98.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.16 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.81 -29.4 64.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.202 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.365 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -74.83 -87.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.42 . . . . 0.0 110.282 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.22 25.28 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.358 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.558 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 66.67 92.85 0.08 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.244 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.3 70.77 1.36 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.195 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.051 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.1 m -68.24 -39.91 82.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.77 -45.36 61.9 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.21 -29.34 70.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.59 73.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.667 0.27 . . . . 0.0 110.75 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -76.66 -38.93 53.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.179 0.514 . . . . 0.0 109.804 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.1 -35.92 91.53 Favored Glycine 0 C--O 1.217 -0.939 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.665 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -60.93 -41.89 97.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.754 0.277 . . . . 0.0 111.272 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -71.35 -40.5 70.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.232 0.539 . . . . 0.0 110.043 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -64.99 -48.97 72.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -67.95 -38.84 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 56.8 tt0 -63.08 -30.67 71.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.801 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.76 -45.27 94.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -68.53 -33.73 74.63 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -60.23 -41.98 94.26 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 79.8 mtt180 -59.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.527 ' O ' HG12 ' A' ' 79' ' ' ILE . 53.0 t80 -63.78 -43.43 96.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.718 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -60.53 -43.89 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.295 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.675 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.9 mm-40 -60.3 -46.06 91.19 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.7 83.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 75' ' ' PHE . 43.5 mm -63.7 -45.08 98.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 0.0 109.991 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.58 -37.7 80.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.973 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.675 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 26.4 mmtp -84.25 -13.72 51.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.904 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.05 41.93 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.176 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -93.95 96.98 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' HD13 ' A' ' 87' ' ' LEU . 13.6 tppt? -71.6 -37.53 70.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.4 -176.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -66.86 -34.37 77.64 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -175.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 38.3 m -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.056 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 91.0 mt -58.05 -46.28 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.68 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.57 -44.29 74.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.3 mt -62.62 -36.85 84.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.14 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.3 mt -60.85 -35.68 77.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.966 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 tp10 -65.53 -45.87 81.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.8 -40.08 76.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 110.134 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' O ' HD22 ' A' ' 98' ' ' LEU . 45.1 tp -61.98 -40.64 96.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.136 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 12.1 tp10 -59.23 -39.24 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.54 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 84.3 mm-40 -60.23 -39.51 86.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.269 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.97 82.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.657 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 94' ' ' LEU . 4.2 mm? -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.655 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 86.0 mm-40 -62.53 -42.06 99.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.524 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 23.7 ttmm -67.03 -41.05 87.24 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.494 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.66 -41.34 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.924 0.392 . . . . 0.0 110.521 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -60.65 -46.75 89.12 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' HB2' ' HE2' ' A' ' 108' ' ' LYS . 10.3 pt-20 -72.67 -30.71 64.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 78.7 mt -68.45 -41.36 80.38 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.83 -27.28 62.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.162 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -83.2 -16.3 47.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.862 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? 57.95 49.6 11.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.298 -177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 103' ' ' GLU . 38.4 ttpt -61.86 -45.54 93.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.527 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 118.583 -0.722 . . . . 0.0 109.435 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt . . . . . 0 N--CA 1.448 -0.538 0 CA-C-O 120.724 0.297 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 tp -69.35 -44.96 70.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -67.03 -44.4 80.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.03 -46.11 90.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.149 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.3 m -65.31 -39.51 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.82 -44.3 97.67 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.394 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.4 -43.27 94.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 110.787 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.64 -37.18 80.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.92 -48.87 77.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.279 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 10' ' ' GLY . 82.4 t -58.91 -44.23 90.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.704 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.513 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 14.6 mm100 -62.3 -43.45 98.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.09 85.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 94' ' ' LEU . 25.3 m-85 -65.38 -38.44 90.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.379 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.9 mm100 -61.55 -43.65 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 2.9 mpt_? -64.56 -35.66 81.71 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.162 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.18 -43.95 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.556 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -65.11 -39.98 93.88 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 42.0 mt-10 -63.19 -41.6 99.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.788 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 19' ' ' ARG . 83.5 mt -66.13 -38.37 81.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.363 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.63 -39.21 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.604 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.5 -28.2 69.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.13 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.48 -17.67 50.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.11 19.19 75.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.874 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -90.28 93.73 9.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.577 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -69.52 -25.96 64.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.926 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.38 -50.72 58.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.194 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.0 m -67.01 -34.35 77.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -62.14 -46.43 89.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.602 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.92 -40.57 95.26 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -63.71 -44.84 92.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.837 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' SER . 89.0 t -63.27 -34.69 68.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.751 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.1 mt -60.0 -36.12 76.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.349 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.37 -41.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.85 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' ILE . 38.4 mm -60.15 -38.82 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.065 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.77 -43.26 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.606 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.71 -41.08 98.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.876 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.61 -40.58 84.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.5 mt -59.62 -43.77 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.9 -44.36 96.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.139 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -70.27 -40.24 74.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -65.59 -41.72 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 109.74 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -63.55 -36.21 83.04 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.651 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.2 -42.98 99.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.866 0.365 . . . . 0.0 110.418 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.8 mt -67.47 -42.63 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.408 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -68.04 -40.45 82.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 19.5 t70 -68.33 -25.3 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.137 0.494 . . . . 0.0 110.662 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -81.37 -44.51 17.48 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.291 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -75.1 -31.97 61.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 51' ' ' ASP . 11.6 pt20 -18.68 91.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -174.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 55' ' ' GLU . 8.8 pt-20 -92.64 -16.37 25.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.34 -176.76 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.31 127.6 32.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.691 0.282 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.6 -37.02 82.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -61.22 -41.95 97.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.978 0.418 . . . . 0.0 110.283 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.47 -40.97 73.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.558 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.81 95.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 -42.96 68.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.633 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.8 -32.76 74.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.03 -42.02 97.24 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.15 -37.92 95.23 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 9.9 t70 -61.25 -41.81 97.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.422 -0.389 . . . . 0.0 110.537 177.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.27 -42.51 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.4 -43.02 99.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.462 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 65' ' ' GLY . 72.2 t -63.94 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 49.3 mt-30 -63.04 -30.59 71.72 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.515 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.04 -48.39 71.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-O 120.845 0.355 . . . . 0.0 110.461 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.52 -35.17 70.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.471 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 22.1 tm0? -61.04 -46.57 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.847 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -68.7 -35.43 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.609 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 71.9 t80 -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.889 -178.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.59 -38.85 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.794 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 12.1 mm-40 -61.91 -39.78 93.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.363 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.627 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 78.5 mt -62.49 -43.06 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.55 -36.66 83.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.975 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -78.18 -14.22 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.24 23.87 73.31 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 15.7 t70 -87.02 96.87 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.126 0.488 . . . . 0.0 110.971 -176.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -65.32 -29.35 70.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.12 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.44 -47.67 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 18.6 m -70.0 -36.41 75.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.8 mt -59.4 -48.2 82.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.338 -178.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 44.1 mt-10 -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.904 0.383 . . . . 0.0 111.042 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.09 -43.19 99.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.803 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 86' ' ' SER . 95.4 mt -67.99 -35.85 79.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.412 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.9 mt -61.06 -41.0 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.465 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 51.8 mm-40 -65.47 -44.31 87.56 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.117 0.484 . . . . 0.0 110.176 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.89 -41.1 90.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.818 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 17' ' ' PHE . 66.9 tp -61.96 -45.9 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.615 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 51.0 mt-10 -62.99 -46.94 85.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.51 -35.51 80.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -64.19 -40.91 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.389 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.1 mt -62.7 -40.46 97.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 95.6 mt-30 -62.69 -40.85 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.39 -45.69 68.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 97' ' ' ALA . 74.5 mt -60.67 -39.92 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.824 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -60.59 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 6.9 mm-40 -66.36 -37.84 86.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.896 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.04 -33.87 75.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.437 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.7 67.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.023 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.32 -2.9 58.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.482 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.2 tptm . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 121.57 0.7 . . . . 0.0 110.6 -179.426 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.58 -38.24 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -63.28 -46.83 84.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.95 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -63.81 -45.06 91.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.462 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.47 -47.07 80.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.151 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.67 -41.61 89.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.836 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.46 -46.9 68.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.45 0.167 . . . . 0.0 111.055 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.85 -36.48 84.07 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.281 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.49 -48.6 81.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -66.86 -45.68 87.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 110.673 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 92.9 mm-40 -64.47 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.039 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.52 94.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 110.66 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CD2' HD21 ' A' ' 94' ' ' LEU . 47.5 m-85 -67.63 -38.44 83.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.818 177.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.31 -44.0 97.93 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 38.4 mtm-85 -69.71 -35.91 75.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.2 0.524 . . . . 0.0 109.927 177.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.09 -38.03 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.315 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -58.54 -42.28 87.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.88 -41.3 91.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.681 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 35' ' ' VAL . 73.6 mt -64.53 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.391 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.35 -41.09 94.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.325 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -77.58 -17.81 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.329 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.18 65.82 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.639 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.11 92.4 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.071 0.462 . . . . 0.0 110.069 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.32 -37.19 86.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.948 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.85 -50.25 74.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.888 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -69.33 -30.89 69.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.7 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 14.7 tp -59.75 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.33 -39.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.76 -46.96 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.17 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -65.9 -34.5 70.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.93 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.2 mt -60.12 -39.43 86.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.075 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.79 -39.38 94.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.488 . . . . 0.0 110.194 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.8 mm-40 -61.14 -41.07 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.926 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.8 mt -66.56 -38.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.742 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 52.5 mt-10 -58.84 -40.65 84.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.01 0.434 . . . . 0.0 110.476 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.95 -39.43 90.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.9 mt -65.95 -40.15 91.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 95.4 mt -60.22 -45.73 95.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.276 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -67.79 -39.91 83.98 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.267 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 59.2 mtpt -61.46 -44.56 96.9 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.028 0.442 . . . . 0.0 110.099 177.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.81 -47.68 84.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.34 -35.05 78.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -66.33 -36.58 83.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.584 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.1 mt -62.83 -39.38 94.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.95 -43.35 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.061 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.4 -33.29 75.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.128 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -81.12 -28.95 34.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.301 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -67.02 -38.36 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -150.98 120.87 7.09 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.263 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -80.07 94.29 5.93 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.04 -172.94 2.55 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.444 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB3' ' HG3' ' A' ' 60' ' ' GLU . . . -73.9 157.99 35.27 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.747 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.46 -39.15 89.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.034 0.445 . . . . 0.0 110.311 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.89 -33.24 75.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.396 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 44.8 mt-10 -70.94 -41.4 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.299 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.86 91.28 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.34 83.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.822 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.47 -44.54 96.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.18 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.28 -37.99 74.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.309 0.575 . . . . 0.0 110.263 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.97 -46.49 44.25 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.413 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.11 -35.81 78.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.269 0.628 . . . . 0.0 112.395 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.1 -43.14 96.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 0.0 110.127 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -69.33 -41.49 76.59 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.035 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.4 t -61.17 -37.94 78.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.44 -38.89 88.82 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.501 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HG ' ' NH2' ' A' ' 74' ' ' ARG . 2.2 tt -65.41 -46.67 79.06 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.25 -38.68 91.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.48 -45.67 93.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.585 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' NH2' ' HG ' ' A' ' 71' ' ' LEU . 52.8 mtm180 -61.43 -36.99 81.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.148 0.499 . . . . 0.0 110.145 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 79' ' ' ILE . 61.3 t80 -66.76 -46.67 74.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.527 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -62.45 -44.55 96.14 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.853 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.26 -46.18 91.45 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.57 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.14 -35.92 80.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.4 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -64.27 -46.09 94.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.57 -36.78 83.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.382 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 12.6 mptt -88.66 -4.02 58.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.87 31.69 61.92 Favored Glycine 0 C--O 1.235 0.215 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.357 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m-20 -88.39 78.62 7.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.105 0.479 . . . . 0.0 110.665 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.545 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.51 -39.54 84.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.255 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 11.9 m -71.94 -38.46 69.83 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.8 mt -60.13 -48.51 81.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.835 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.73 -36.26 83.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.554 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.59 -35.02 78.2 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.4 mt -66.4 -34.61 78.35 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.318 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 91.2 mt -58.61 -34.38 71.07 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.93 -44.6 95.62 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.997 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.91 -41.03 97.45 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.416 0.627 . . . . 0.0 109.429 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 17' ' ' PHE . 59.6 tp -61.66 -46.12 91.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 43.8 mt-10 -60.14 -46.69 88.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -63.46 -39.26 94.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.6 mt -63.4 -42.32 98.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 68.0 mm-40 -66.16 -39.22 89.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 59.0 tttp -61.21 -40.3 93.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.999 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 97' ' ' ALA . 71.0 mt -60.13 -45.75 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.584 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -68.54 -37.46 79.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.768 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 35.6 mm-40 -60.8 -39.0 87.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.141 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.5 mt -73.47 -40.97 63.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.036 178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.3 -28.58 63.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.085 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -2.96 58.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.107 0.48 . . . . 0.0 110.862 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.863 178.22 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.08 -44.93 87.31 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 7' ' ' ARG . 15.0 ttp180 -70.72 -38.91 73.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.296 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -60.61 -43.31 97.61 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 46' ' ' HIS . 31.2 m -61.58 -35.68 78.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.74 -44.79 88.57 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.04 -44.04 97.0 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 109.975 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.01 -36.84 80.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.801 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.84 -47.44 85.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.8 t -60.15 -45.11 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.797 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.44 -45.85 92.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 39' ' ' ILE . . . -60.59 -44.56 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.413 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -67.82 -38.73 83.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.567 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 86.5 mm-40 -61.34 -44.07 97.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.929 0.395 . . . . 0.0 110.014 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -66.02 -36.78 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.379 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.8 -44.74 96.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -65.0 -40.73 95.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 46.1 mt-10 -60.75 -46.7 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.309 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 28' ' ' ASP . 80.5 mt -66.97 -39.12 82.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.76 -41.78 98.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.97 -32.62 74.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.31 -17.61 48.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.569 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 28.0 54.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.649 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.1 t70 -91.47 92.99 8.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.27 0.535 . . . . 0.0 110.091 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.42 -39.59 87.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.888 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.22 -50.92 71.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.606 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.6 m -71.49 -34.0 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 tp -61.45 -46.88 88.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 0.0 109.896 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.46 -40.63 93.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.724 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.73 -39.83 95.3 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.865 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' SER . 98.6 t -68.83 -34.27 63.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.892 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -59.08 -38.2 78.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.035 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.01 -43.4 95.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.5 tt0 -61.92 -45.45 93.68 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.149 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.9 mt -59.6 -39.29 79.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.97 -42.29 97.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.66 -45.27 94.76 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.0 mt -61.95 -42.66 99.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.017 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.1 mt -60.85 -46.62 95.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.685 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.47 -44.32 87.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 88.8 tttt -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.414 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 78.6 t60 -63.27 -46.62 85.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -34.35 77.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.024 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.06 -45.78 69.5 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.276 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 87.7 mt -63.2 -46.01 89.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.431 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -63.09 -47.68 81.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.846 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.93 -31.25 71.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.629 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -74.15 -28.74 61.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.457 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.5 mmm180 -75.46 -38.91 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.655 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' A' ' 56' ' ' ALA . 60.1 tt0 -174.53 155.1 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.881 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -36.52 51.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.434 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' H ' ' HG2' ' A' ' 54' ' ' GLN . . . 53.72 47.61 23.35 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.888 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.22 111.64 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.971 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.718 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.8 t -64.19 -39.42 93.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.53 -44.73 73.96 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.9 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.541 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.09 84.58 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.101 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.718 ' HG2' ' O ' ' A' ' 59' ' ' THR . 29.3 mmtp -66.5 -43.66 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 110.539 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -65.92 -43.37 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.082 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -45.78 68.81 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.656 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.25 -41.65 97.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.644 0.259 . . . . 0.0 111.555 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 77.6 mm-40 -70.26 -39.07 75.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -68.21 -46.04 71.68 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.44 -41.43 91.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.632 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.25 -42.3 99.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.74 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.263 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.84 -43.2 99.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.115 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' HA ' ' HG3' ' A' ' 76' ' ' ARG . 50.2 tt0 -60.85 -44.9 96.36 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 178.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -59.8 -42.48 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.836 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.441 ' HA ' HD13 ' A' ' 90' ' ' LEU . 56.2 t80 -66.73 -48.09 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.63 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -65.65 -33.82 76.77 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.294 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.63 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 7.8 tp10 -60.03 -46.13 90.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.921 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.57 -36.27 83.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.581 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.0 mm -64.54 -47.1 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.075 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.62 -34.71 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.336 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.62 -11.35 59.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.188 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.49 31.94 68.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.684 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 t70 -97.59 96.14 8.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.0 110.741 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 87' ' ' LEU . 96.5 mttt -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.496 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.3 -49.93 75.43 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.756 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 p -72.21 -34.28 68.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.972 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.4 mt -59.29 -40.98 87.85 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.05 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.3 mt-10 -62.91 -39.28 94.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.724 0.297 . . . . 0.0 111.069 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.06 -37.82 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.21 0.528 . . . . 0.0 109.983 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 75' ' ' PHE . 24.4 mt -61.3 -35.88 78.56 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.665 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.4 mt -59.14 -40.42 85.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.136 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -69.92 -41.71 74.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 110.758 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -34.78 78.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.175 0.512 . . . . 0.0 110.448 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 98' ' ' LEU . 31.6 tp -61.35 -45.02 96.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.537 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.18 -46.2 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.998 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.25 -41.95 99.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.57 86.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.901 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -67.93 -38.98 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 78.8 mt-30 -63.64 -40.54 97.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.03 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 86.2 tttt -61.83 -47.18 86.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.815 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.02 -42.89 97.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -63.93 -39.04 93.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.241 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 24.4 mm-40 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.162 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 90.6 mt -65.4 -31.89 73.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 110.578 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.63 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -84.93 -2.6 58.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.364 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 120.859 0.362 . . . . 0.0 110.513 179.239 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.591 0.234 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.87 -42.53 69.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.399 . . . . 0.0 110.692 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HD3' ' C ' ' A' ' 7' ' ' ARG . 3.7 tmt_? -63.33 -45.69 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.381 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -69.89 -34.47 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -62.96 -41.47 99.54 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -66.77 -39.89 93.68 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 17.8 t70 -60.27 -39.08 85.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.965 0.506 . . . . 0.0 110.798 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.69 -37.17 83.13 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.238 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.27 -39.59 92.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.636 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 98' ' ' LEU . 47.4 t -58.77 -42.3 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.15 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 73.8 mm-40 -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.183 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.43 91.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.46 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 94' ' ' LEU . 46.2 m-85 -67.49 -40.44 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -64.2 -41.9 96.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.14 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 23' ' ' ILE . 20.8 tpp180 -66.4 -36.54 83.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.901 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.88 -42.82 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.257 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -63.41 -40.0 96.02 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 46.7 mt-10 -61.97 -45.4 93.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.787 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 19' ' ' ARG . 75.1 mt -63.65 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.309 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.64 -41.0 94.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.826 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.36 -30.13 69.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.227 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.1 mttt -77.69 -17.35 57.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.57 27.15 57.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.809 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -93.15 92.45 7.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.0 -27.09 63.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.348 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.86 -51.01 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.976 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 10.8 m -72.2 -33.92 67.99 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.512 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -61.19 -47.29 86.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.259 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.362 . . . . 0.0 111.313 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -64.92 -42.06 95.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' SER . 92.6 t -66.41 -35.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.818 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -60.71 -36.65 79.34 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.09 0.472 . . . . 0.0 110.19 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -38.64 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.335 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.03 -44.68 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.9 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.7 mt -60.03 -38.93 78.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.468 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.84 -39.16 90.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.66 -44.08 82.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.803 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 45' ' ' LYS . 96.6 mt -61.78 -39.09 90.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.893 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 39' ' ' ILE . 98.2 mt -59.98 -44.34 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.041 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.71 -37.62 87.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.067 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 80.5 tttt -60.7 -45.08 95.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.989 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -64.93 -45.32 86.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.094 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 39.2 mmt180 -61.91 -42.51 99.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.603 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 99.2 mt -66.75 -35.8 80.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -73.13 -41.07 64.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.744 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.64 -34.87 77.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -71.17 -19.79 62.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.677 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 25.5 mmt180 -75.78 -37.49 59.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 0.0 110.649 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -145.02 86.4 1.78 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.132 0.492 . . . . 0.0 110.196 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.383 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.46 -20.89 59.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.86 30.38 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.307 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.31 -37.78 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.636 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.5 m -76.22 -42.06 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.524 0.202 . . . . 0.0 111.515 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.53 -44.53 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.651 0.262 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.25 86.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -42.76 78.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -72.38 -37.68 68.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.867 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.61 -40.88 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.3 -36.05 91.14 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.536 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.75 -42.0 96.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.824 0.345 . . . . 0.0 110.734 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -69.54 -35.05 75.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' HE1' HD13 ' A' ' 43' ' ' ILE . 52.9 t-105 -67.13 -47.6 70.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.219 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' GLY . 91.1 t -61.91 -39.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 22.1 tp60 -62.24 -42.03 98.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.252 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.45 -42.95 91.82 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -61.86 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.495 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.72 -37.44 87.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.04 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 95.8 mtt180 -58.76 -37.67 76.76 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.34 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.557 ' O ' HG13 ' A' ' 79' ' ' ILE . 73.6 t80 -63.5 -46.96 83.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.576 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -65.52 -41.39 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 10.3 mm-40 -60.87 -42.91 98.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.36 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.23 83.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 75' ' ' PHE . 77.1 mt -64.11 -42.06 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.08 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.938 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 84.8 mttt -80.07 -13.59 59.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.459 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.0 70.43 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.955 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.749 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.0 t70 -87.39 91.52 8.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -70.99 -36.34 72.43 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.832 -173.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -65.16 -36.18 83.41 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.609 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 24.3 m -70.69 -38.83 73.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.819 177.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.5 mt -60.02 -47.61 85.15 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.77 -45.44 85.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -67.75 -42.89 81.08 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.802 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.5 mt -61.41 -36.49 80.46 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.384 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.7 mt -59.61 -46.17 89.75 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.21 -44.05 72.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.733 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.57 -40.42 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.073 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 98' ' ' LEU . 38.3 tp -66.2 -46.42 77.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.774 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.62 -42.97 97.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.866 0.365 . . . . 0.0 111.254 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.82 -35.21 79.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -38.09 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.85 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 14' ' ' VAL . 4.1 mm? -63.3 -35.25 79.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.308 177.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 16.0 mm100 -62.85 -38.22 89.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.497 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 32.0 mmtm -67.74 -36.32 80.35 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.885 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.44 HD12 HD13 ' A' ' 98' ' ' LEU . 67.0 mt -61.94 -40.31 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 0.0 110.066 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.28 -38.17 85.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.6 mt-10 -73.07 -44.92 59.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.768 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -61.48 -28.38 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.356 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -29.41 70.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 0.0 111.079 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -94.85 -22.41 18.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.27 0.557 . . . . 0.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.977 0.417 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtp180 -62.94 -44.28 96.49 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.019 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -61.3 -44.5 97.11 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.062 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -67.49 -35.07 78.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.134 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.62 90.13 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.24 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 19.5 t70 -66.47 -35.54 80.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.718 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.22 -45.44 91.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.277 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.58 -46.67 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.616 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 41.8 t -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.776 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 14.1 mm100 -67.71 -40.22 84.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.494 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.07 -40.5 93.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD2' HD21 ' A' ' 94' ' ' LEU . 42.7 m-85 -67.4 -36.85 82.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 81.4 mm-40 -61.43 -42.89 99.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 26.4 ptt85 -68.78 -32.96 73.06 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.228 0.537 . . . . 0.0 109.64 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.41 -39.33 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.53 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -59.46 -38.5 80.96 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.654 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -45.11 94.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.211 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.1 mt -67.9 -41.02 84.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.376 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.57 -38.69 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.06 -33.98 74.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -84.28 -7.38 59.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.954 0.407 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.43 27.43 73.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.063 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.53 92.47 9.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.951 0.405 . . . . 0.0 110.101 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -61.17 -39.32 89.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.574 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 4.6 m-20 -60.42 -51.35 69.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.372 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.0 m -70.26 -33.33 71.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 23.7 tp -61.56 -47.26 86.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.308 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.58 -40.85 93.19 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 80.0 mm-40 -60.42 -42.82 96.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.5 t -70.09 -34.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 72.6 mt -60.1 -37.1 78.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.671 0.272 . . . . 0.0 110.386 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 33.6 tt0 -63.36 -43.48 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.3 tt0 -63.38 -41.69 98.79 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.145 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.0 mm -59.73 -40.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 39.5 tt0 -61.39 -40.67 95.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.796 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 40.1 mt-10 -66.53 -41.91 88.05 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.7 mt -61.89 -39.63 92.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.333 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.7 mt -60.22 -40.99 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 82.8 mm-40 -62.32 -39.92 94.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -66.1 -43.41 87.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.317 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.018 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -60.08 -44.62 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.06 -44.72 68.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.69 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.15 -43.29 87.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.776 0.322 . . . . 0.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 68.0 t80 -66.31 -36.99 84.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.59 -33.77 60.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.99 -35.13 79.16 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -70.69 -24.15 62.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.515 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 78.4 mm-40 -73.42 86.06 1.52 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -87.75 103.18 15.37 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 72.6 154.36 0.14 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.89 -173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.67 16.85 10.61 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.934 0.397 . . . . 0.0 111.332 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.04 -21.73 66.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.878 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -62.61 -31.19 71.98 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.999 0.428 . . . . 0.0 110.597 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.03 -38.56 72.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.165 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.17 -33.72 76.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.481 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.85 83.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.286 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -72.01 -40.93 68.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.657 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.52 -36.73 84.73 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -33.75 85.17 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.097 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 2.1 mp0 -65.05 -38.98 92.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.7 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -68.0 -45.83 72.99 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.92 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.723 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -62.54 -35.85 80.74 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 93.7 mt -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.521 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.88 -45.19 82.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.73 -37.68 88.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -64.2 -36.58 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' HA ' HD13 ' A' ' 90' ' ' LEU . 70.3 t80 -66.33 -46.96 75.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -63.05 -40.29 97.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 111.175 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.84 -44.07 97.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 75' ' ' PHE . 77.7 mt -68.83 -45.37 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.63 -37.14 86.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.189 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.81 -13.38 59.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.637 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.45 31.56 74.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.035 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.5 t70 -95.23 97.64 10.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -60.04 -33.06 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.33 -44.65 92.59 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.545 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -70.88 -35.64 72.43 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.467 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 93.7 mt -61.73 -49.72 75.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.57 -42.1 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.513 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -68.92 -37.55 78.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.206 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 75' ' ' PHE . 29.6 mt -61.69 -35.92 79.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.914 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 98.9 mt -59.13 -38.43 79.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.916 0.389 . . . . 0.0 110.092 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.4 -45.29 66.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.859 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.03 -42.77 84.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 17' ' ' PHE . 51.5 tp -62.19 -45.41 93.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.884 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.46 -37.64 88.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.26 -42.23 94.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 110.117 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.29 85.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.45 -39.14 92.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.14 -41.49 99.3 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.18 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.91 -46.75 67.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.922 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.91 -37.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -60.49 -46.83 88.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.28 -40.23 95.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.16 -41.48 85.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.238 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.69 -28.62 63.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 7' ' ' ARG . 9.3 mm-40 -76.0 -20.74 57.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.07 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -175.844 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 105' ' ' ALA . 4.3 mm? -63.63 -38.9 92.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.393 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -62.87 -43.15 99.57 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.488 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.701 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.3 mt-30 -61.74 -47.94 82.94 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.983 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 m -69.82 -44.4 70.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.778 0.323 . . . . 0.0 111.482 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.44 -39.6 96.5 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.507 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.75 -36.08 75.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.248 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 55.0 mt-10 -60.71 -38.01 83.62 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 110.427 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.02 -47.63 85.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 51.9 t -60.73 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 80.1 mt-30 -61.63 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.032 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.29 74.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.716 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 94' ' ' LEU . 20.0 m-85 -62.42 -38.25 88.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 84.0 mm-40 -61.51 -43.21 99.28 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.407 177.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 6.5 mpt_? -69.37 -32.59 71.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 HD13 ' HB ' ' A' ' 35' ' ' VAL . 37.8 tp -59.41 -42.7 92.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.756 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -65.21 -38.66 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.79 -45.52 94.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.505 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.1 mt -67.1 -39.53 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.354 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -60.89 -39.93 91.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.9 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.65 -32.91 74.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.68 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -82.26 -17.84 44.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 0.0 110.895 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.94 25.49 64.37 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.106 -0.569 . . . . 0.0 113.172 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.56 91.8 8.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.93 0.365 . . . . 0.0 110.262 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.44 -44.18 89.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.043 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.44 -44.04 97.37 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.071 0.462 . . . . 0.0 110.923 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -71.63 -32.95 68.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.612 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.56 -47.23 84.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.4 -36.03 82.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.15 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 tm0? -59.06 -40.4 85.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.396 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 39' ' ' ILE . 61.5 t -69.55 -36.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.31 -36.64 78.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.617 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.98 -40.81 91.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.938 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 mm-40 -64.0 -43.15 96.54 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.213 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.2 mm -59.82 -39.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.307 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.42 -41.55 89.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.507 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 87.5 mt-10 -68.21 -40.46 82.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -64.59 -40.38 95.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.172 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 97.6 mt -60.24 -41.57 87.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 110.135 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.75 -36.65 84.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.012 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 62.1 mtpt -61.55 -44.46 97.0 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.482 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.95 -42.16 97.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.472 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' ARG . 31.0 mmt180 -66.88 -38.66 86.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.702 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -63.65 -40.24 96.34 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.111 0.481 . . . . 0.0 110.173 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 95.0 mt -68.42 -38.12 80.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.943 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -67.21 -39.08 86.25 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 15.2 t70 -64.28 -33.98 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.443 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.12 -36.87 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.332 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -75.32 -40.18 58.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.884 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 6.3 tp-100 38.96 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.241 1.017 . . . . 0.0 112.623 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -110.63 24.41 13.0 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 120.952 0.406 . . . . 0.0 111.415 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.66 13.16 6.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.03 65.03 6.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.245 0.545 . . . . 0.0 109.941 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.73 -42.95 73.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.49 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -65.74 -41.86 91.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.61 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.8 tt0 -68.95 -41.62 77.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.462 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.1 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.05 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.209 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -63.1 -45.0 94.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.06 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 11.5 pt20 -75.41 -37.67 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.075 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -68.48 -46.62 61.9 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.716 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.72 -41.91 98.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.409 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.439 ' HE1' ' CD1' ' A' ' 43' ' ' ILE . 73.7 t-105 -66.79 -40.24 88.07 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -63.61 -42.78 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.2 -44.97 93.86 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.09 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -65.02 -38.99 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.84 -45.33 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.233 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -62.57 -39.94 95.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.026 0.441 . . . . 0.0 110.381 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 t80 -63.74 -44.63 92.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.769 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -42.79 99.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.074 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.3 -46.86 88.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.715 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.64 83.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.361 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.7 mt -64.98 -41.19 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.92 0.39 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.19 -35.87 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.975 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.57 -13.55 57.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.99 31.45 66.83 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.962 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -96.97 96.33 8.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.904 0.383 . . . . 0.0 110.38 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -70.28 -24.86 63.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.334 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.63 -46.55 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.462 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.8 p -71.21 -39.5 71.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.555 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 96.7 mt -59.36 -41.27 88.85 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.95 -47.1 83.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.554 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.4 mt -63.93 -41.01 97.76 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.666 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.2 mt -61.32 -44.59 96.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.414 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.96 -45.52 92.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.748 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.89 -33.59 72.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.27 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.356 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.84 -44.77 93.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.258 0.551 . . . . 0.0 110.42 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.12 -36.54 82.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.892 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.66 -38.08 88.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.8 mt -62.52 -37.72 87.17 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.131 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.16 -44.67 94.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.953 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.587 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.0 mttp -63.55 -43.31 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.68 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.4 mt -59.83 -43.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 19.3 mtp180 -62.3 -39.01 91.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.656 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 107' ' ' LYS . 46.8 mt-10 -69.13 -39.62 78.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.792 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 82.9 mt -66.39 -40.14 89.46 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.582 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 6' ' ' LEU . . . -65.76 -24.1 66.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -86.8 -10.5 53.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.202 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 27.3 mtpp . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.907 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 CA--C 1.514 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' CD2' ' HD3' ' A' ' 53' ' ' ARG . 46.1 tp -70.57 -36.25 73.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.74 -42.61 85.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.062 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 48.7 tt0 -65.52 -46.11 80.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.2 m -69.47 -36.42 76.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.36 -40.06 98.56 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.58 -40.93 98.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 42.6 mt-10 -60.85 -43.74 97.92 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.66 -48.16 83.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.628 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 95.7 t -64.55 -42.54 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -62.34 -40.79 97.53 Favored 'General case' 0 N--CA 1.419 -1.987 0 C-N-CA 122.784 0.433 . . . . 0.0 110.425 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.83 99.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.5 m-85 -66.13 -39.37 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 76.4 mm-40 -63.88 -36.66 84.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 109.939 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' HG13 ' A' ' 23' ' ' ILE . 19.1 tpp180 -66.57 -40.82 89.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.02 -39.05 88.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.372 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' PHE . 22.6 mtp180 -59.28 -44.53 92.46 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.307 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -64.93 -38.46 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 19' ' ' ARG . 79.4 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.186 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 87' ' ' LEU . 71.2 t80 -67.14 -38.79 86.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.626 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.71 -35.15 77.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.583 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -94.48 -6.83 43.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.008 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 28.84 55.23 Favored Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.934 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.0 t70 -86.36 93.46 9.11 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.325 0.584 . . . . 0.0 110.466 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.73 -43.91 74.95 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.97 -46.38 89.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . 97.8 p -72.6 -31.1 64.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.453 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tt -58.68 -46.24 87.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -174.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -39.79 95.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.865 0.364 . . . . 0.0 111.156 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.8 -43.8 78.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.1 t -62.59 -36.66 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.793 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.5 mt -60.64 -41.44 94.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.319 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.29 -38.03 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.475 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -67.53 -39.09 85.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 43' ' ' ILE . 66.0 mt -61.63 -37.7 78.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 176.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.38 -43.17 88.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.957 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.99 -37.25 86.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.649 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.73 -40.23 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.348 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -60.47 -38.49 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -62.31 -46.24 89.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.792 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.05 -45.43 93.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.299 0.571 . . . . 0.0 109.949 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.622 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -66.45 -34.43 77.93 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.19 -44.79 96.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.78 -37.4 65.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.274 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.72 -48.88 73.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -67.09 -24.2 65.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -80.3 -35.88 35.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 6' ' ' LEU . 43.6 mtp180 -68.75 -39.28 80.38 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.684 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -158.54 143.43 16.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.03 126.65 40.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.47 157.52 17.0 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.583 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -72.09 166.78 21.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.255 178.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.32 -42.25 95.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.176 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -69.74 -42.11 74.35 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.033 0.444 . . . . 0.0 110.506 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' OE1' ' HB3' ' A' ' 57' ' ' ALA . 1.2 mp0 -66.86 -45.72 77.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.395 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.95 86.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.27 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.19 71.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.933 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.74 -44.33 90.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.699 0.285 . . . . 0.0 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -75.72 -40.0 56.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.992 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.21 -44.62 93.58 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.604 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.3 -40.0 92.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.51 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.89 -42.64 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.639 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -67.51 -47.77 69.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 65' ' ' GLY . 76.3 t -61.1 -38.95 80.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -44.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.568 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.7 -44.91 96.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.339 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -65.42 -46.06 81.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.043 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.02 -46.51 81.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.521 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -68.5 -38.51 81.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 79' ' ' ILE . 85.5 t80 -61.73 -49.82 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.106 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -68.26 -35.7 78.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.956 0.408 . . . . 0.0 111.209 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.27 -42.46 99.36 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.658 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -35.15 78.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.038 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.9 mt -61.0 -38.08 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.107 0.48 . . . . 0.0 109.903 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -27.69 69.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -93.91 -13.41 27.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.555 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.3 22.32 78.55 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.19 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 28.8 t70 -87.26 91.07 8.59 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.167 0.508 . . . . 0.0 110.812 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 87' ' ' LEU . 22.2 ptmt -64.66 -24.2 67.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.262 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.66 -49.56 76.09 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 37.9 m -71.96 -39.79 69.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.585 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 24' ' ' PHE . 97.4 mt -59.29 -48.37 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -175.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.679 0.276 . . . . 0.0 111.383 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 52.7 tt0 -69.79 -43.66 71.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.075 0.465 . . . . 0.0 110.235 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.2 mt -61.1 -33.46 73.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.35 -44.0 83.93 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 110.643 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -70.38 -38.28 74.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.996 0.427 . . . . 0.0 110.672 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 7.2 mm-40 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 17' ' ' PHE . 52.8 tp -66.48 -39.9 89.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.361 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.94 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.335 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.05 -35.83 80.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.807 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.0 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.3 mt -62.81 -43.77 97.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 110.45 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -70.29 -35.76 73.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.807 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -61.63 -46.04 91.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.15 -40.82 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.608 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -60.88 -39.46 89.31 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.85 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -63.35 -42.35 98.91 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.352 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.78 -34.58 73.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.41 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -73.34 -31.58 64.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.06 -22.71 17.73 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.293 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 35.6 ttmt . . . . . 0 N--CA 1.439 -1.004 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.18 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 49' ' ' LEU . 69.3 mt -72.43 -44.69 62.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.574 . . . . 0.0 109.753 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.545 ' HG3' ' OE2' ' A' ' 106' ' ' GLU . 49.1 ttp180 -70.2 -47.02 63.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.455 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 10.0 mm100 -63.84 -39.23 93.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.1 m -62.38 -45.56 92.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.675 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -39.99 97.02 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.072 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 44.5 mt-10 -60.15 -41.35 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.876 0.37 . . . . 0.0 110.023 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.56 ' HB3' HD12 ' A' ' 98' ' ' LEU . 43.0 mt -60.39 -47.69 84.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.43 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 43.6 t -59.89 -45.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.764 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.38 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -67.94 -37.31 81.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.856 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 79.4 mm-40 -61.35 -41.15 96.6 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.812 0.339 . . . . 0.0 110.241 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -67.81 -37.22 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.71 -38.17 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.434 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -58.34 -43.87 88.48 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.009 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.5 -43.19 90.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.7 -45.95 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.335 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -64.57 -38.9 92.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.507 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.46 -35.45 77.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -88.67 -16.59 31.95 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.73 27.07 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.614 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.94 90.6 8.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.134 0.492 . . . . 0.0 110.009 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.04 -28.26 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.155 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.59 -51.67 68.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.219 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 m -72.79 -31.49 64.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.1 -44.3 94.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.86 -36.85 72.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.446 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -63.25 -36.17 82.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.971 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 39' ' ' ILE . 60.5 t -62.34 -37.16 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.832 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.69 -37.1 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.911 0.386 . . . . 0.0 110.807 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.3 mm-40 -69.62 -43.06 73.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.816 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.12 -42.19 89.53 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -60.41 -38.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 7.3 tp10 -59.22 -46.03 89.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 31.1 mt-10 -59.28 -46.48 88.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.6 -40.58 92.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.774 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.3 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 67.6 mm-40 -62.97 -36.53 83.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.689 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 54.6 mtpt -61.6 -44.61 96.69 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -62.06 -39.38 92.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -61.12 -42.39 98.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.24 -41.24 94.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.499 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.0 mt -64.8 -45.04 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.67 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -72.06 -36.2 69.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.6 -31.59 70.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -59.88 -32.13 70.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.675 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.01 162.52 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 64.7 12.53 7.67 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.16 0.584 . . . . 0.0 111.481 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.34 116.09 28.31 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.396 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 125.98 25.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.06 -27.37 68.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -59.19 -42.39 90.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.189 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.51 -40.64 73.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.7 99.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.4 -43.28 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.97 -45.4 89.26 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.804 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -73.84 -39.97 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.556 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.08 -44.65 96.96 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.778 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 18.6 t70 -61.76 -40.84 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.608 0.242 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.19 -39.79 94.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -66.97 -43.42 83.1 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.516 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 87.3 t -60.93 -39.37 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 80.3 mm-40 -62.74 -35.41 79.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.182 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -66.19 -39.75 89.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.1 -43.52 78.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.397 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 14.1 mm100 -62.98 -45.04 94.28 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.208 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 74' ' ' ARG . 3.3 tpm_? -59.87 -43.13 94.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.195 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 79' ' ' ILE . 74.9 t80 -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -64.26 -42.72 96.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.52 -39.76 89.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.394 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.42 90.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 75' ' ' PHE . 64.0 mt -68.46 -43.35 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.314 0.578 . . . . 0.0 109.668 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.51 -37.16 84.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.335 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -13.33 57.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.042 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.66 30.92 65.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.959 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.21 97.04 7.18 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.825 0.345 . . . . 0.0 110.707 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 17.0 pttp -68.43 -25.42 65.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.317 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -48.63 78.95 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.552 0.215 . . . . 0.0 111.161 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.546 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 12.1 p -70.99 -36.19 72.39 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.583 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 84' ' ' LYS . 84.7 mt -59.49 -44.28 93.11 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 84.9 mt-10 -58.32 -45.57 87.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.28 -40.11 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.841 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 86' ' ' SER . 91.9 mt -63.11 -36.2 82.79 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.626 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.52 -37.04 74.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.716 0.294 . . . . 0.0 111.419 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.85 -45.44 67.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.2 -36.11 74.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.67 -45.5 93.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.811 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.7 tt0 -59.13 -41.18 87.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.818 0.342 . . . . 0.0 110.79 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -63.8 -36.13 82.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.46 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -61.69 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 13' ' ' LEU . 3.4 mm? -63.32 -37.27 86.61 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.948 177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 74.4 mm-40 -64.49 -41.81 96.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.19 -44.71 95.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.406 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 97' ' ' ALA . 80.5 mt -61.9 -45.79 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.351 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.482 ' HE ' ' CD ' ' A' ' 106' ' ' GLU . 53.6 ttt180 -60.86 -36.4 79.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.8 mt-10 -60.41 -40.62 91.63 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.704 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.51 -37.58 80.17 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.011 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.07 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.015 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.545 ' OE2' ' HG3' ' A' ' 7' ' ' ARG . 57.1 mt-10 -91.25 -22.45 20.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.736 0.303 . . . . 0.0 111.548 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt . . . . . 0 C--N 1.318 -0.789 0 CA-C-O 120.969 0.414 . . . . 0.0 110.862 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.261 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' HG ' HH11 ' A' ' 53' ' ' ARG . 6.7 tt -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -66.84 -42.04 86.42 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 76.2 mm-40 -64.34 -44.27 92.02 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.674 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -60.73 -42.63 97.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.796 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.26 -40.68 92.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 15.1 t70 -65.23 -46.34 81.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.9 mt-10 -65.06 -35.26 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.35 -43.83 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.1 -38.38 80.73 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.306 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 98.6 mt-30 -60.08 -37.86 81.16 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.38 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.369 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -68.55 -38.92 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -63.72 -38.48 91.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.844 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' NH1' HG22 ' A' ' 35' ' ' VAL . 12.4 ttm180 -66.82 -38.41 86.4 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 tp -61.48 -39.19 90.01 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.03 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -60.75 -41.36 95.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.196 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.2 mm-40 -63.85 -43.75 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.093 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.439 ' CD1' HG21 ' A' ' 35' ' ' VAL . 72.1 mt -62.36 -40.73 89.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.295 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.39 -39.69 88.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.74 -34.08 77.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.321 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 66.7 mmtt -89.49 -17.11 29.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 27.2 67.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.378 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.3 t70 -86.09 93.3 8.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.171 0.51 . . . . 0.0 110.889 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.75 -29.31 69.81 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -66.38 -50.63 62.83 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 p -71.77 -30.2 65.31 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.07 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -58.89 -46.49 87.73 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.57 -39.99 93.14 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.04 0.447 . . . . 0.0 110.837 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.34 -45.12 77.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.83 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG22 ' NH1' ' A' ' 19' ' ' ARG . 67.5 t -64.06 -35.11 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.8 mt -60.59 -36.37 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 177.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -40.9 93.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.669 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.9 mt-10 -62.67 -45.63 91.92 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.522 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.5 mt -59.62 -39.98 80.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.342 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.76 -45.21 94.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.564 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.54 -43.64 89.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.931 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 92.0 mt -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.2 mt -60.5 -40.94 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -64.95 -47.62 76.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.72 -44.38 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' HH22 ' A' ' 53' ' ' ARG . 53.2 t-80 -62.42 -36.99 84.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.351 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 47' ' ' ARG . 11.8 ttp180 -62.61 -43.45 98.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.708 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -66.39 -39.43 89.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 0.0 110.327 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.28 -33.8 76.06 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.057 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.38 -36.49 76.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 26.2 t0 -64.46 -39.27 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.08 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -74.68 -33.15 62.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.758 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.491 HH22 ' CD2' ' A' ' 46' ' ' HIS . 89.0 mtm180 -75.41 -37.82 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.696 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -140.83 -78.48 0.28 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.66 140.53 0.35 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.108 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -160.54 90.83 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.002 0.429 . . . . 0.0 111.367 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.93 149.44 28.21 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.65 0.262 . . . . 0.0 111.0 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 m -60.51 -42.34 96.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.05 -44.92 60.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.49 96.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.84 86.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.666 0.27 . . . . 0.0 111.693 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -72.56 -44.91 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -74.92 -33.88 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.11 0.481 . . . . 0.0 110.77 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -34.32 87.72 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.825 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.94 -40.76 90.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.659 0.266 . . . . 0.0 110.808 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.42 -38.13 71.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 71' ' ' LEU . 73.3 t-105 -65.98 -45.94 79.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.29 -38.07 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.26 -29.6 70.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.729 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' TRP . 50.3 tp -61.95 -40.46 95.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -67.53 -37.99 83.55 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.116 0.484 . . . . 0.0 109.982 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.61 -41.78 92.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.117 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -65.91 -36.71 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.665 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.8 t80 -60.26 -46.36 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.519 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -61.69 -42.72 99.32 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.4 -44.94 95.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.718 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.28 93.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -65.17 -45.33 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.054 177.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -36.85 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.092 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -77.94 -14.86 59.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.574 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.37 31.31 71.34 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.561 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.8 t70 -94.39 96.64 9.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.023 0.44 . . . . 0.0 110.328 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HD3' HD12 ' A' ' 87' ' ' LEU . 75.6 mmtt -66.39 -28.66 68.8 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.886 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.42 -49.31 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.446 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 20.2 m -65.9 -34.76 78.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.19 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.5 mt -59.64 -48.28 82.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.794 0.331 . . . . 0.0 110.714 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.22 -44.78 94.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.38 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.87 -39.2 93.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.611 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.8 mt -65.06 -36.86 85.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.48 -35.84 82.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.71 -44.86 88.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.96 -42.95 99.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.992 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 61.6 tp -61.48 -43.49 98.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.78 -46.91 86.44 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.596 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.01 -41.14 87.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.904 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.18 -42.92 99.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.8 mt -63.15 -36.99 85.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 110.397 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 44.7 tt0 -63.04 -45.23 93.21 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.555 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.2 mt -60.6 -44.23 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 39.6 mtm180 -61.63 -43.94 97.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.181 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 9.6 mm-40 -61.08 -41.26 96.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.84 -35.1 67.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.98 0.419 . . . . 0.0 110.656 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB1' ' NH1' ' A' ' 53' ' ' ARG . . . -68.03 -28.52 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.075 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.47 -2.02 58.24 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.583 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt . . . . . 0 N--CA 1.471 0.604 0 C-N-CA 123.884 0.874 . . . . 0.0 110.698 -178.028 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.73 -29.5 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.222 0.534 . . . . 0.0 109.619 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -61.59 -38.91 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -67.79 -45.39 74.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 86.8 m -70.52 -41.31 72.74 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.563 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 -45.17 96.39 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 t70 -67.51 -35.79 79.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.015 0.436 . . . . 0.0 110.059 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.48 -39.25 83.12 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 9' ' ' THR . 51.2 mt -62.53 -46.25 89.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.5 t -60.2 -40.36 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 74.9 mm-40 -62.16 -43.49 98.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.963 0.411 . . . . 0.0 110.276 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.82 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.896 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 94' ' ' LEU . 29.0 m-85 -66.28 -37.81 86.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.332 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 25.8 mt-30 -60.96 -43.28 98.99 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 22' ' ' GLU . 26.9 mmt180 -65.22 -38.93 91.97 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.47 -43.67 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.305 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -65.46 -38.7 90.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 51.5 mt-10 -60.48 -44.14 96.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.8 mt -65.08 -39.25 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.467 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -64.7 -46.73 81.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.59 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.129 0.49 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 28' ' ' ASP . 71.5 tttt -77.77 -17.88 57.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.162 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 26.31 59.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.768 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 7.6 t70 -98.29 92.41 5.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.25 -40.34 74.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.58 -46.61 87.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.3 m -70.84 -33.25 70.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.407 178.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.9 tp -60.95 -46.43 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.774 -177.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -40.11 93.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.405 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.96 -39.68 83.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.631 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 31' ' ' SER . 90.7 t -62.51 -32.99 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.555 177.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.1 mt -59.28 -36.5 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.183 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 27.3 mt-10 -67.35 -36.41 81.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.124 0.488 . . . . 0.0 109.959 177.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.8 mt-10 -64.3 -39.99 95.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.7 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.3 mm -59.53 -38.0 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.296 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' A' ' 37' ' ' GLU . 43.7 mt-10 -58.28 -45.76 87.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -65.26 -40.73 94.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.3 mt -61.33 -46.34 96.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.067 0.461 . . . . 0.0 110.175 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 52.8 tt0 -67.64 -36.71 81.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.212 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.13 -42.49 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.606 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.1 -38.66 89.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.133 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -67.34 -32.4 73.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.0 mt-30 -61.38 -44.17 97.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.58 -34.64 76.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.37 -40.34 97.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.92 -39.59 72.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -66.02 -41.42 90.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.309 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -75.54 -38.56 59.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.176 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 62.2 90.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.469 0.652 . . . . 0.0 110.007 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -110.0 98.52 7.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.292 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.54 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.711 0.805 . . . . 0.0 112.977 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 59' ' ' THR . . . -153.61 129.97 10.55 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.836 0.351 . . . . 0.0 111.658 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.05 -33.5 75.58 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.097 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.434 HG22 ' HB1' ' A' ' 57' ' ' ALA . 11.3 t -58.15 -28.26 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.716 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.38 -44.67 62.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.17 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.61 73.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.158 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.67 -43.11 66.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.885 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -68.98 -44.52 72.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.734 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -71.53 -30.23 65.68 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.38 -36.07 92.58 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.904 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.38 -40.96 96.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.215 0.531 . . . . 0.0 109.837 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -67.51 -42.46 82.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.043 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.54 -49.59 68.35 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.194 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' GLY . 95.8 t -61.69 -38.87 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.29 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.79 -43.68 98.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.227 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -63.34 -41.7 98.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 57.5 mt-30 -62.33 -38.91 91.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.008 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -59.34 -40.18 85.55 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 110.426 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.51 -42.58 98.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.121 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -65.92 -42.82 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 58.4 mm-40 -61.02 -42.89 99.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.29 94.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 36' ' ' LEU . 95.2 mt -66.06 -42.32 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.043 0.449 . . . . 0.0 110.35 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.08 -33.05 74.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 66.1 mttm -89.09 -5.72 57.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.82 30.6 70.32 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.748 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -94.79 96.65 9.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.01 0.433 . . . . 0.0 109.838 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.56 -33.54 71.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.855 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.24 -45.25 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.746 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.523 ' O ' HD23 ' A' ' 90' ' ' LEU . 31.6 m -63.03 -34.26 77.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.0 mt -59.08 -43.68 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -42.53 95.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.039 0.447 . . . . 0.0 110.033 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -62.77 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.275 0.56 . . . . 0.0 109.7 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 86' ' ' SER . 3.0 mm? -63.13 -45.57 91.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.806 177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 97.0 mt -61.67 -35.5 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.22 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.96 -44.86 88.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.11 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.69 -37.58 88.07 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.062 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.414 HD21 ' CD2' ' A' ' 17' ' ' PHE . 53.5 tp -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.941 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.59 -45.51 92.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.208 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.11 -37.3 86.96 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.18 86.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.325 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.17 -36.42 83.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 5.6 tp-100 -63.13 -44.11 96.49 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.832 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.39 -46.43 90.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.752 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.41 -42.25 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.631 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 6.4 tpt180 -60.89 -41.61 96.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 10.8 mm-40 -59.75 -44.87 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.61 -33.78 64.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.318 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.22 61.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 58.4 mm-40 -73.32 -24.46 60.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.106 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 N--CA 1.477 0.887 0 O-C-N 123.692 0.62 . . . . 0.0 111.722 -178.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.19 -37.56 66.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.837 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -63.08 -34.29 77.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.387 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 53.7 tt0 -61.06 -44.51 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.393 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -65.76 -38.91 90.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.72 -39.7 95.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.557 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.23 -38.54 91.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 78.9 mm-40 -60.62 -40.68 92.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.84 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.95 -43.32 98.87 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.489 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' HA ' HD13 ' A' ' 98' ' ' LEU . 58.0 t -58.95 -45.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.246 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.26 -46.09 85.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.54 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.56 95.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 98' ' ' LEU . 31.9 m-85 -67.7 -39.45 84.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.51 -38.14 86.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 23' ' ' ILE . 28.9 ttt180 -62.4 -41.81 98.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.304 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.56 -44.95 95.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -62.66 -43.81 97.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.743 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 40.2 mt-10 -61.3 -43.2 99.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 28' ' ' ASP . 94.7 mt -65.18 -40.86 90.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.994 0.426 . . . . 0.0 110.292 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -60.72 -41.71 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.767 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.92 -31.5 72.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.821 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 62.6 mtpt -78.21 -13.04 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.16 27.01 64.94 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.507 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 10.1 t70 -97.38 92.62 6.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.185 0.517 . . . . 0.0 110.143 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.558 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.8 -50.89 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.307 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.5 m -71.71 -30.17 65.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.957 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -59.28 -47.17 86.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.723 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.64 -37.82 87.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.985 0.421 . . . . 0.0 110.691 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 mm100 -62.12 -40.41 95.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.507 ' O ' HG12 ' A' ' 39' ' ' ILE . 51.3 t -69.28 -36.18 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.0 mt -60.3 -40.8 91.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.39 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.401 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 52.7 mt-10 -62.14 -42.42 99.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.315 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 35' ' ' VAL . 43.7 mm -59.69 -40.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.613 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 47.1 mt-10 -60.56 -40.65 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -178.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.7 tp10 -70.0 -42.3 73.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.176 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.7 mt -61.36 -43.55 98.68 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 89.9 mt -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -62.15 -40.75 97.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.009 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 61.0 mtpt -64.25 -44.02 93.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.357 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 78.8 mtp180 -61.33 -41.78 97.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.268 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.69 -44.03 97.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.08 -42.02 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.341 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -66.41 -43.27 86.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.078 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.73 -31.25 71.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 110.728 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -78.91 -25.95 43.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -61.02 -38.67 86.89 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.984 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -152.85 132.12 12.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.042 0.449 . . . . 0.0 110.726 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.12 163.22 14.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.03 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 67.44 23.36 9.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.634 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.77 25.08 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.953 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.45 -38.64 84.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.479 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 t -64.51 -39.35 93.63 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.738 0.304 . . . . 0.0 111.449 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -71.65 -39.64 70.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.212 0.53 . . . . 0.0 109.878 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.86 76.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.297 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.76 71.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.721 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.66 -44.34 96.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -74.74 -43.16 56.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -46.7 66.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.234 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.778 0.289 . . . . 0.0 111.549 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.92 -43.98 86.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -68.8 -47.93 64.88 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.472 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 72.6 t -61.26 -44.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.639 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 52.5 tt0 -65.88 -40.89 92.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.447 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.21 -40.26 95.5 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.011 0.434 . . . . 0.0 109.952 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -65.97 -40.68 91.47 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.784 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.48 -35.54 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.314 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 44.3 mmm-85 -63.78 -35.6 81.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 79' ' ' ILE . 73.5 t80 -61.32 -44.44 97.19 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.414 HH12 ' CD ' ' A' ' 40' ' ' GLU . 28.2 ttm180 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.011 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.88 -43.7 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.99 81.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.399 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 75' ' ' PHE . 37.2 mm -65.97 -46.63 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.323 0.582 . . . . 0.0 109.865 176.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.98 -36.9 85.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.367 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -87.21 -13.61 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 30.62 61.61 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.412 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.0 t70 -88.31 87.68 7.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.245 0.545 . . . . 0.0 109.853 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' A' ' 87' ' ' LEU . 65.6 tttp -66.63 -26.17 66.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.864 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.05 -48.75 80.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.1 m -71.48 -34.61 70.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.707 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.8 mt -59.5 -45.01 92.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.564 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 68.5 mm-40 -57.24 -44.11 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 0.0 110.775 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -69.6 -47.29 64.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.123 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 86' ' ' SER . 96.1 mt -62.21 -36.8 83.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.094 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 86.1 mt -58.9 -42.34 89.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.36 -44.95 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.22 -44.35 92.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -63.61 -44.27 94.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.16 -39.63 94.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.93 -42.12 85.87 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.05 -36.93 83.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.5 mt -62.15 -35.19 78.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.21 -44.38 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 66.2 mttm -64.83 -40.55 95.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 97' ' ' ALA . 75.9 mt -60.01 -43.5 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.316 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -62.5 -39.4 93.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.31 -42.82 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -63.94 -29.1 70.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.94 -15.01 63.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -91.68 -2.65 56.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.521 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mttp . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.14 -35.82 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.988 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HD3' ' OE2' ' A' ' 106' ' ' GLU . 12.4 mmm180 -62.63 -45.21 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.63 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.34 -40.86 73.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.4 m -61.02 -39.7 90.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.015 0.436 . . . . 0.0 110.12 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.9 -40.29 97.13 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.27 176.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 28.9 t70 -63.17 -41.56 99.25 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.511 0.196 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.33 -42.02 90.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.91 -48.3 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.471 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' GLY . 84.6 t -58.96 -44.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.61 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 12.9 mm100 -61.59 -43.79 98.2 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.884 0.374 . . . . 0.0 110.635 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.75 87.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.659 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.4 m-85 -63.41 -37.44 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.146 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 98.4 mt-30 -61.0 -44.57 97.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.306 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 23' ' ' ILE . 61.6 mtm-85 -69.94 -35.25 74.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.396 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.3 -38.59 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.562 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' HG2' HD13 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.53 -45.93 87.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.569 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 49.3 mt-10 -69.7 -45.51 68.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.505 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.1 mt -59.62 -44.75 94.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.992 0.425 . . . . 0.0 110.382 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 87' ' ' LEU . 22.4 t80 -64.11 -45.62 87.8 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.227 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.51 -32.89 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 34.1 mmtp -78.28 -8.78 58.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.627 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 26.88 70.77 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.951 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.84 91.9 8.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.59 -26.28 64.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.15 -51.38 69.97 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.0 m -74.51 -35.11 63.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 28.0 tp -60.41 -47.43 86.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.458 -173.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.82 -43.68 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 111.741 -178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -68.72 -40.05 80.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.75 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 31' ' ' SER . 86.8 t -65.79 -36.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.365 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.1 mt -59.85 -40.56 88.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.033 0.444 . . . . 0.0 110.296 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.9 -38.73 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.354 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.9 mm-40 -60.69 -43.86 97.25 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' ILE . 92.3 mt -61.34 -38.26 79.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.25 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.566 ' HG2' HE22 ' A' ' 44' ' ' GLN . 26.2 tt0 -61.96 -42.56 99.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.64 -37.8 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.578 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 50.7 mt -67.51 -39.54 85.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.691 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -61.04 -35.49 65.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.795 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.566 HE22 ' HG2' ' A' ' 40' ' ' GLU . 1.1 mp0 -60.8 -35.65 77.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.899 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.01 -44.84 96.82 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -60.64 -44.66 96.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.07 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 32.8 mtt180 -60.51 -42.33 96.17 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.124 0.488 . . . . 0.0 110.15 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -69.07 -44.31 72.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.568 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.99 -37.72 84.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.279 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -63.33 -45.2 92.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.448 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 8.4 t70 -65.44 -40.52 93.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.525 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -70.81 -42.93 69.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.251 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -62.85 -37.62 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 0.0 111.545 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 87.0 mt-30 -81.31 -74.9 0.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.914 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 5.8 tp10 176.58 -68.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.08 93.49 2.45 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.45 ' HB1' ' CG ' ' A' ' 60' ' ' GLU . . . -135.39 29.02 3.33 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.882 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.4 m -72.19 -43.51 64.42 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.625 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' CG ' ' HB1' ' A' ' 57' ' ' ALA . 9.5 pt-20 -73.83 -31.35 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.058 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.15 86.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.64 91.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.687 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -66.01 -36.57 83.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -63.49 -43.01 98.47 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -69.31 -40.94 80.34 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.487 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 15.7 t70 -61.56 -41.52 97.49 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.751 0.42 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -65.03 -38.25 90.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.936 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -68.27 -36.69 79.78 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.672 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -62.22 -37.9 79.71 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.853 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 78.4 mt-30 -62.55 -31.83 72.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.81 -41.87 78.05 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.11 -34.07 77.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.301 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -60.02 -44.9 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.56 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.39 -44.6 92.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.864 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.5 t80 -64.17 -42.54 96.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.719 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 41.7 mt-10 -65.94 -38.81 89.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -35.85 78.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.745 0.307 . . . . 0.0 110.457 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 73.9 mt -65.69 -39.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.01 -36.99 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 58.5 mmtt -82.56 -12.99 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.535 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.98 73.31 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.243 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -96.85 96.37 8.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 110.53 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.0 tttp -68.9 -27.11 65.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.346 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.67 -49.26 78.43 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.37 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 29.7 t -69.49 -34.97 75.1 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 84' ' ' LYS . 67.6 mt -61.66 -46.08 91.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.389 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 20.7 mm-40 -61.35 -42.17 98.26 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.16 0.505 . . . . 0.0 109.783 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -62.16 -42.75 99.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.549 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.5 mt -60.82 -36.65 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD13 ' HG2' ' A' ' 21' ' ' ARG . 86.8 mt -64.52 -37.68 88.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.619 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.16 -45.03 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.22 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 109.626 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.659 HD21 ' CD2' ' A' ' 17' ' ' PHE . 60.3 tp -59.82 -45.38 92.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.38 -39.69 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.033 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -61.72 -39.93 93.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.927 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.88 -37.74 84.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.657 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 91.6 mt -62.89 -38.87 92.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.087 0.47 . . . . 0.0 110.176 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -62.73 -44.52 95.99 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.43 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -61.73 -41.73 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 97' ' ' ALA . 73.6 mt -63.21 -47.4 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.394 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 56.5 mtm180 -62.34 -46.64 87.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.72 -176.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.1 mt-10 -65.55 -44.12 87.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.822 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.17 -41.67 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.43 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.487 ' OE2' ' HD3' ' A' ' 7' ' ' ARG . 15.8 tt0 -91.75 -24.52 19.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 111.278 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.0 tttm . . . . . 0 C--N 1.315 -0.892 0 CA-C-O 121.358 0.599 . . . . 0.0 111.804 -175.691 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.48 -32.77 66.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.049 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.61 -44.53 96.08 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.96 -38.57 86.34 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.232 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.5 m -60.73 -47.01 88.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.692 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.23 -40.29 92.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.875 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.32 -43.07 92.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 111.083 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.59 -34.6 75.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.732 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.43 -41.7 90.16 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.4 t -63.35 -45.67 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.821 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.64 -38.2 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.741 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.2 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.58 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD2' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -67.39 -36.88 82.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.6 mm-40 -60.67 -42.71 97.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 19' ' ' ARG . 11.6 mmt180 -66.68 -35.29 79.78 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.352 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.55 -39.0 89.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.442 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 -62.54 -39.94 95.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.055 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.27 -46.46 90.28 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.98 0.419 . . . . 0.0 110.424 177.086 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.69 -44.42 99.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -61.83 -40.33 94.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.47 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.47 -34.58 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 29.0 mtpp -77.7 -16.82 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.47 26.11 66.41 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.408 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.73 92.6 9.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.6 -35.49 78.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.819 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.61 -51.13 71.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.293 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.1 m -72.48 -35.12 68.13 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 26.4 tp -61.36 -48.27 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.505 -175.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.46 -42.16 88.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.367 -0.379 . . . . 0.0 112.007 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -66.37 -41.71 89.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.945 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 31' ' ' SER . 69.0 t -62.29 -32.38 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.389 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.6 mt -58.3 -39.6 79.8 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.38 -42.28 83.63 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.359 0.6 . . . . 0.0 109.921 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.67 -40.65 97.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.384 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.8 mt -61.32 -40.0 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 178.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.9 -37.75 88.68 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.951 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -42.13 90.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.25 0.548 . . . . 0.0 109.622 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.07 -40.42 82.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.631 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.1 mt -61.09 -41.77 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.249 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.34 -37.01 84.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.006 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -63.41 -43.72 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.894 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.05 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.629 ' NH2' HE22 ' A' ' 64' ' ' GLN . 3.8 mmp_? -61.59 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.26 -45.08 70.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 98.1 mt -73.92 -50.56 19.56 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -74.04 -49.06 25.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.3 m-20 -66.95 -24.66 66.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.71 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.67 -41.69 95.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' LEU . 10.7 mpt_? -75.44 -31.24 60.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.478 -177.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 67.84 -77.34 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.364 0.665 . . . . 0.0 111.625 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 71.04 -55.98 0.64 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.204 1.002 . . . . 0.0 111.383 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.54 -169.47 1.85 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.436 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.8 150.87 47.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.471 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.86 -37.52 84.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.394 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.5 m -66.05 -38.3 88.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.89 -40.37 72.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 109.815 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.96 68.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -64.68 -39.87 94.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.629 HE22 ' NH2' ' A' ' 47' ' ' ARG . 4.9 pp0? -63.16 -35.84 81.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.554 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.602 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.76 -41.72 63.01 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.34 -41.46 93.64 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.212 0.605 . . . . 0.0 111.717 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.38 -38.41 87.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -68.0 -39.92 83.11 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.9 t -60.84 -38.75 79.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.43 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.23 -43.09 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.158 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.59 -43.76 84.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.07 -43.28 99.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -62.68 -45.49 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.3 -38.04 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.5 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.627 ' HA ' HD13 ' A' ' 90' ' ' LEU . 70.1 t80 -66.44 -46.87 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.271 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.567 ' NH1' ' HA ' ' A' ' 77' ' ' GLU . 4.5 tmm_? -63.62 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.08 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 6.5 tp10 -60.69 -46.12 91.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.881 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.57 84.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.6 mt -65.95 -44.68 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.191 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -77.76 -14.82 59.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.29 31.59 71.71 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.678 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.9 t70 -100.92 96.9 7.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.145 0.498 . . . . 0.0 111.299 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -67.21 -25.18 65.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.198 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.4 -49.08 78.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -71.16 -36.86 72.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.557 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 92.6 mt -59.4 -45.13 92.35 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.421 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.25 -41.15 96.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.58 -40.99 72.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.416 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.627 HD13 ' HA ' ' A' ' 75' ' ' PHE . 39.8 mt -60.64 -34.78 74.78 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.154 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.8 mt -58.02 -39.67 78.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.933 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.79 -44.52 66.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.1 -40.7 98.41 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.009 0.433 . . . . 0.0 110.4 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 54.7 tp -63.99 -45.16 90.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.1 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -56.25 -47.86 77.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.439 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -66.98 -39.15 87.12 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -63.21 -41.08 99.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.7 mt -62.96 -44.08 97.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.663 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 77.1 mt-30 -65.81 -40.18 91.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.777 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 85.1 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.7 mt -62.35 -46.19 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.684 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 57.5 ttp180 -63.59 -40.17 96.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.304 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 7.2 tp10 -61.18 -38.48 86.68 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 123.185 0.594 . . . . 0.0 110.336 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 93.5 mt -70.05 -41.32 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.56 -28.14 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.9 mt-10 -83.74 -2.41 56.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.2 tttp . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 111.198 179.533 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tptt . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.71 -34.92 76.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.259 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -61.75 -45.14 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.495 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.74 -39.22 73.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -64.2 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.498 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.61 95.53 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.116 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.259 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.95 -37.19 81.51 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.771 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.96 -44.35 94.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.207 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 62.8 t -66.51 -48.08 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.541 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -68.27 -38.75 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.816 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.0 93.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -67.4 -38.28 84.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.493 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 78.4 mm-40 -61.52 -40.76 95.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 19' ' ' ARG . 7.8 ttp180 -61.99 -37.22 84.01 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.72 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -65.28 -39.11 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 49.6 mt-10 -65.66 -45.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 35' ' ' VAL . 66.6 mt -66.41 -38.45 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.006 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.99 -39.63 86.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.006 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.07 -33.85 76.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.771 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 65.4 mttm -79.82 -18.25 51.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.24 26.97 64.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.313 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' HB3' HG23 ' A' ' 23' ' ' ILE . 12.6 t70 -88.12 94.77 9.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.049 0.452 . . . . 0.0 110.584 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.1 -43.47 82.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.814 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.33 -51.4 70.11 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 111.811 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.9 m -71.35 -32.56 68.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.69 -45.62 93.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.676 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.32 -40.34 97.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.49 -47.06 87.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 23' ' ' ILE . 50.8 t -62.77 -35.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.908 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.93 -42.78 94.7 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.605 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 48.9 mt-10 -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.633 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.645 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.4 mt -64.43 -38.88 83.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.537 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.87 -39.26 90.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.446 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -62.3 -43.97 97.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.8 mt -63.17 -40.19 96.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 39' ' ' ILE . 69.5 mt -60.35 -41.88 88.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.46 -46.77 72.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.356 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 63.3 mttp -61.87 -44.16 97.38 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.605 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -58.18 -47.78 82.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -68.13 -43.49 78.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -69.05 -40.93 78.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.5 mt -61.59 -41.69 97.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -73.88 -44.88 53.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.685 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.0 -36.86 84.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.407 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -68.7 -43.9 75.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.423 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -76.06 -41.15 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 62.01 122.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.392 0.615 . . . . 0.0 111.998 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -134.45 -54.96 0.84 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.39 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.59 0.66 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.109 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.87 33.96 22.61 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -61.54 -42.27 98.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.953 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 m -65.28 -42.18 93.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.1 -43.94 70.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.64 91.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 5.5 tmtm? -70.0 -37.16 75.6 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -63.17 -41.31 99.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.79 -35.13 89.21 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.24 -40.92 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.043 0.537 . . . . 0.0 110.733 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -66.82 -35.82 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.166 0.508 . . . . 0.0 109.859 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.451 ' HE1' HG12 ' A' ' 43' ' ' ILE . 50.9 t-105 -63.42 -36.63 84.35 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.084 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 65' ' ' GLY . 65.3 t -62.55 -39.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.979 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.72 -39.16 93.2 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.09 -45.97 91.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.847 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -69.14 -39.11 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.648 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 62.4 tt0 -63.83 -43.22 96.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.124 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -61.72 -38.4 87.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 79' ' ' ILE . 75.5 t80 -61.23 -42.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.637 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -60.19 -45.11 94.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.76 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 52.1 mt-10 -62.63 -39.59 94.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.109 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.2 90.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 75' ' ' PHE . 72.0 mt -67.21 -40.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.245 0.545 . . . . 0.0 109.869 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.1 -37.58 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.281 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -84.28 -13.5 52.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.855 0.36 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.61 59.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.5 t70 -94.1 94.83 8.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.189 0.518 . . . . 0.0 110.283 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.09 -25.31 62.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.576 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.57 -48.28 82.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.3 m -65.64 -37.92 87.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 86.4 mt -59.91 -44.79 94.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.199 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -58.39 -43.15 88.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.595 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.92 -46.55 65.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 94' ' ' LEU . 95.3 mt -61.44 -36.48 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.478 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 81.9 mt -57.26 -39.42 75.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.624 0.25 . . . . 0.0 111.431 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.99 -42.57 69.46 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.728 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.37 -42.39 83.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.405 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 90' ' ' LEU . 10.6 mp -62.15 -38.7 90.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.966 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.84 -40.46 84.29 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.987 0.423 . . . . 0.0 111.017 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.34 -40.22 89.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.654 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.55 -37.77 85.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.52 -34.0 76.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.581 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.503 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 62.7 tt0 -63.81 -45.49 89.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.84 -42.29 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.486 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 97' ' ' ALA . 83.1 mt -61.74 -44.97 99.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.736 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttp-105 -63.01 -37.04 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.915 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 20.0 mm-40 -61.46 -39.3 90.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.372 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.78 -40.78 75.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.485 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.44 66.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.656 178.572 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.01 -35.53 66.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.82 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -70.62 -33.21 70.76 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.976 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 17.7 tm0? -60.05 -37.33 79.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.463 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m -61.53 -44.38 97.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.88 -38.38 89.08 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.914 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 20.5 t70 -59.03 -38.43 79.29 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.008 0.523 . . . . 0.0 110.793 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 64.3 mm-40 -59.72 -41.22 90.37 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.67 -47.34 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.489 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.38 -46.08 89.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.148 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 15.0 mm100 -62.38 -40.57 96.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.752 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.01 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.572 ' CD2' HD21 ' A' ' 94' ' ' LEU . 39.4 m-85 -67.67 -38.95 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 49.5 tt0 -61.52 -43.62 98.54 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -66.67 -38.74 87.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.099 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.44 -42.85 96.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.767 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 91' ' ' LEU . 49.4 ttt180 -63.75 -41.68 97.97 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.29 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 61.9 mt-10 -62.41 -45.45 93.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.617 178.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.12 -41.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.672 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -64.49 -39.84 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.252 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.64 -34.41 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.332 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.45 -17.44 56.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.293 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.97 72.31 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.988 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.02 93.64 9.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 110.547 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.8 -26.95 68.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.799 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.19 -51.38 66.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -72.29 -32.77 66.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.7 tp -60.63 -45.7 93.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.512 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.62 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.959 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 78.2 mt-30 -63.63 -46.56 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.668 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -62.78 -35.39 70.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.198 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -59.96 -36.63 77.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.941 0.4 . . . . 0.0 110.281 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.53 -37.65 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.105 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 34' ' ' GLN . 5.6 mm-40 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.468 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 35' ' ' VAL . 91.6 mt -59.71 -37.28 70.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.294 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.64 -40.38 83.23 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.1 -43.42 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.74 -42.24 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 39' ' ' ILE . 92.1 mt -61.01 -45.09 99.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 48.3 tp60 -63.63 -43.83 95.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.881 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -62.64 -37.98 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.22 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -59.83 -41.59 91.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.252 0.549 . . . . 0.0 109.527 177.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 71.4 mtp180 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.681 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 28.4 mt-30 -61.37 -43.02 99.58 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.704 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.0 -44.87 95.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.578 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -73.92 -37.52 64.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.304 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.39 -39.64 77.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.23 -38.87 71.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.397 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 53' ' ' ARG . 46.8 ttp180 -72.92 -25.04 60.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.704 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 72.03 93.25 0.08 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.074 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -94.27 152.41 18.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.774 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.6 25.02 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.433 0.635 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 60' ' ' GLU . . . -134.1 48.18 2.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.361 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.4 -42.81 99.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -66.58 -29.26 69.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 110.642 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HB3' ' HB1' ' A' ' 57' ' ' ALA . 7.7 tp10 -72.05 -45.05 62.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.84 85.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.352 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.12 99.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.672 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -72.39 -35.95 68.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.827 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -63.59 -43.55 96.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.66 -35.72 86.43 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.548 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -61.1 -44.29 97.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -73.86 -33.34 64.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.115 0.483 . . . . 0.0 110.637 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -66.29 -48.4 70.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.835 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.53 -38.64 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.361 . . . . 0.0 110.263 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -61.66 -38.25 87.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.961 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.328 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.35 -41.93 84.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.81 -45.19 94.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.487 . . . . 0.0 109.839 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -59.75 -42.94 94.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.19 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.613 ' HA ' HD13 ' A' ' 90' ' ' LEU . 74.7 t80 -65.12 -44.51 88.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.671 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -64.07 -44.46 92.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.015 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.35 -39.46 94.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.263 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.01 81.6 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 110.579 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.464 HD11 ' CE2' ' A' ' 75' ' ' PHE . 74.0 mt -66.42 -44.97 90.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.916 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.56 -35.22 79.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -76.97 -14.44 59.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.95 27.92 71.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.492 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.65 96.07 7.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.087 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 87' ' ' LEU . 61.9 mttp -71.06 -25.92 62.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.458 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.19 -45.97 91.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -65.87 -37.77 87.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.963 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.62 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.9 mt -60.93 -40.25 92.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.454 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.16 -39.44 86.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.456 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -69.24 -40.89 77.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.613 HD13 ' HA ' ' A' ' 75' ' ' PHE . 14.5 mt -61.02 -37.27 81.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.422 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.5 mt -59.75 -40.51 88.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.988 0.423 . . . . 0.0 110.596 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 36.0 mm-40 -70.01 -44.76 68.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.597 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.56 -34.99 79.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 17' ' ' PHE . 67.4 tp -62.71 -45.13 94.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.968 176.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.45 -41.4 94.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.087 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 94.1 mt-30 -65.66 -37.68 87.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -39.9 89.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.3 mt -63.44 -32.52 73.98 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.19 -42.4 93.64 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.427 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 60.2 mttm -67.18 -42.04 84.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.8 mt -60.24 -45.69 95.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.073 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 23.3 ttp180 -60.6 -46.38 90.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 6.0 mm-40 -60.77 -42.33 97.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.195 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 -41.81 62.88 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.9 -30.65 62.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.52 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 2.1 pt-20 -92.11 -21.74 20.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.642 -0.823 . . . . 0.0 112.029 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.52 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 13.6 mptt . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -66.2 -41.49 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -63.75 -38.92 92.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.008 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 57.1 tt0 -61.64 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.148 177.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -64.4 -42.94 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.015 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -60.75 -39.96 97.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.18 -36.58 77.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.729 0.411 . . . . 0.0 110.842 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 45.4 mt-10 -64.35 -43.76 93.57 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.25 -46.94 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.965 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.3 t -57.68 -45.69 86.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.919 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -63.02 -43.59 98.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.201 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.39 84.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.57 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 58.7 m-85 -68.37 -41.97 79.84 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 81.0 mt-30 -67.83 -35.78 79.2 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.445 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 23' ' ' ILE . 54.4 ttt180 -64.71 -37.06 86.31 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 38.1 tp -60.54 -40.13 90.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 56.0 ttp180 -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.047 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -61.77 -42.24 98.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.452 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' ARG . 74.8 mt -65.95 -39.89 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.076 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -62.11 -45.32 93.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.966 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.93 -29.72 68.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -77.32 -14.49 59.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.178 0.514 . . . . 0.0 110.122 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.38 63.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.922 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -98.75 93.34 6.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 117.315 0.558 . . . . 0.0 110.423 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.433 ' HA ' HD12 ' A' ' 32' ' ' LEU . 21.4 t70 -63.64 -34.38 77.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.023 -177.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -49.65 76.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.241 -178.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HB2' HG21 ' A' ' 23' ' ' ILE . 21.3 m -67.53 -31.41 71.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.313 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 63.1 mt -60.37 -47.41 86.17 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.437 0.161 . . . . 0.0 111.064 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -63.49 -39.74 95.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -61.8 -46.74 88.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' ILE . 93.0 t -67.1 -36.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.4 mt -61.03 -37.86 84.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.309 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.18 -37.43 80.96 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.1 mm-40 -63.94 -38.89 92.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 176.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.1 mm -59.64 -37.51 71.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.74 -44.67 86.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.63 -42.86 91.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.48 . . . . 0.0 109.846 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.7 mt -64.33 -39.97 94.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.06 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 39' ' ' ILE . 68.7 mt -59.87 -46.15 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.86 -35.87 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.516 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.05 -45.76 87.38 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -64.07 -43.27 95.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.813 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -60.89 -43.08 98.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.146 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -68.43 -43.88 76.18 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.353 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.02 -38.2 87.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.885 0.374 . . . . 0.0 111.05 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 20.1 t80 -71.31 -34.15 70.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.03 -40.74 52.78 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.567 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -64.46 -21.83 66.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 109.833 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 5.1 ttp85 -66.18 -38.05 87.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.422 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -165.25 93.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.26 -23.22 63.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.599 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.33 -12.21 61.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.127 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 35.97 4.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.648 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -20.28 62.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.115 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -58.86 -35.33 72.78 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.282 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 mt-10 -68.23 -40.65 82.0 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.305 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.91 99.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.139 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.33 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.53 -35.66 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.672 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 78.3 mm-40 -65.51 -41.13 93.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 109.978 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.44 -35.94 92.57 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.13 -40.81 95.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -67.18 -42.21 84.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.058 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.404 ' CD1' HG23 ' A' ' 43' ' ' ILE . 6.1 m95 -60.65 -51.13 70.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.296 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.3 t -59.51 -42.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.813 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -62.73 -45.3 93.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.43 -46.71 63.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.775 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.97 -46.22 85.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.826 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.48 -45.34 93.46 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.154 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -65.16 -42.42 93.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.62 0.248 . . . . 0.0 111.332 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.47 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.4 t80 -63.94 -47.93 78.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.847 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -66.69 -37.13 84.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.44 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.3 -47.12 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.78 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.292 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.4 mt -64.68 -47.04 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.855 0.359 . . . . 0.0 110.054 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.49 -31.97 72.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.57 -13.37 59.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.316 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.81 69.5 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.265 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 22.4 t70 -102.68 95.96 6.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 111.138 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 87' ' ' LEU . 63.0 tttp -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.78 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.78 -48.58 79.27 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.027 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.472 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.8 m -71.71 -36.21 70.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.6 mt -59.42 -44.17 92.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.439 -177.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -58.47 -45.36 88.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.954 0.407 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -68.28 -42.84 78.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.0 mt -63.2 -36.24 82.97 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.788 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.72 -44.8 93.59 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.25 -44.46 91.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.096 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.51 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.442 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.51 -46.78 81.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.245 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.93 -39.44 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.973 0.416 . . . . 0.0 110.562 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.81 -36.22 80.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.902 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.53 80.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.96 -41.1 97.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.088 0.471 . . . . 0.0 110.111 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -70.16 -44.47 68.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -61.94 -46.1 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.86 -39.35 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 36.9 ttp180 -62.1 -46.32 89.57 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.262 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -35.31 77.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.246 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.57 -35.72 80.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.043 0.449 . . . . 0.0 110.291 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.4 -28.29 61.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.451 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 41.8 mt-10 -78.61 -23.81 45.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.772 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm . . . . . 0 N--CA 1.469 0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.939 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.6 mttm . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.706 0.288 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 49' ' ' LEU . 68.3 mt -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.6 -36.74 83.34 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.271 0.558 . . . . 0.0 109.629 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.19 -33.17 74.03 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.86 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.9 m -60.01 -43.88 94.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.16 -42.89 91.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.153 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.82 -35.32 74.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.44 -47.44 83.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.0 t -60.29 -44.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.298 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.78 -41.83 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.49 96.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 94' ' ' LEU . 54.9 m-85 -64.91 -36.17 83.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.54 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.8 mm-40 -60.57 -42.2 96.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -67.17 -42.92 83.48 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.613 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.54 -38.86 85.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.407 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.23 -45.28 91.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.395 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.01 -44.9 87.68 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 31' ' ' SER . 74.5 mt -62.96 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.37 -39.8 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.87 -23.84 67.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.545 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.05 -12.99 27.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.893 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.75 19.35 77.89 Favored Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 113.421 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 12.2 t70 -87.45 93.19 9.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.099 0.476 . . . . 0.0 110.804 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 32' ' ' LEU . 7.0 p-10 -64.91 -30.51 71.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.153 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.35 -50.15 74.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.008 0.432 . . . . 0.0 110.767 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.47 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 15.2 m -69.73 -31.4 69.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.576 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 mt -60.6 -45.95 92.09 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.89 -36.77 80.09 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -60.92 -47.89 84.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.695 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 39' ' ' ILE . 61.6 t -70.06 -36.5 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.697 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.8 mt -60.52 -36.32 78.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.46 -41.37 84.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.84 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt-10 -62.03 -45.99 91.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.239 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.58 ' O ' HG13 ' A' ' 43' ' ' ILE . 93.4 mt -60.57 -37.83 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.196 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' HH22 ' A' ' 76' ' ' ARG . 11.7 tp10 -58.79 -46.31 87.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.5 -43.62 93.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.18 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.4 mt -61.48 -40.5 94.78 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.082 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 39' ' ' ILE . 71.1 mt -61.66 -46.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.657 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -36.79 81.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.45 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -65.12 -43.02 93.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.329 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.19 -37.07 83.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.515 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -60.65 -36.89 79.82 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.198 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -62.8 -30.7 71.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 6' ' ' LEU . 85.8 mt -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.315 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.09 -31.89 64.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.394 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -74.78 -42.32 58.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.709 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.3 -48.23 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -76.8 -28.79 55.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? 74.21 134.8 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.63 158.23 31.98 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.215 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 115.6 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 62.47 76.22 0.37 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.68 0.613 . . . . 0.0 109.742 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -59.93 -42.32 93.7 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.184 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -58.96 -42.38 89.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 tt0 -74.64 -44.64 49.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.82 91.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.989 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.53 84.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.278 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.9 tptp -71.83 -30.79 65.85 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.122 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 85.3 mm-40 -62.96 -42.73 99.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.33 -35.77 90.71 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.81 -41.52 97.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.801 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.3 mm-40 -65.38 -34.32 78.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.269 0.557 . . . . 0.0 109.65 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.443 ' HE1' HG12 ' A' ' 43' ' ' ILE . 64.0 t-105 -67.47 -41.36 84.73 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.869 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -63.31 -39.86 86.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.69 -42.74 99.79 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.304 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.01 -44.79 95.97 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.923 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -66.74 -42.12 86.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.016 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.67 -43.85 92.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 109.896 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.19 -36.79 75.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.041 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.5 t80 -63.76 -43.58 96.0 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.488 178.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.443 HH22 ' HB2' ' A' ' 40' ' ' GLU . 57.9 mtt180 -62.99 -43.23 99.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.97 -39.7 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.07 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.533 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.5 mt -68.64 -36.95 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.612 176.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.6 -34.71 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.495 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.1 -13.61 58.55 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.72 32.07 73.91 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.5 t70 -101.48 90.82 4.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 87' ' ' LEU . 54.7 mtmt -70.85 -25.46 62.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.86 -49.4 77.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.314 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -71.46 -34.41 70.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.818 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 83.0 mt -59.64 -41.67 91.05 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.291 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.75 -40.38 97.05 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.689 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -68.91 -35.72 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.366 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.7 mt -69.38 -36.35 76.71 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.4 mt -59.59 -35.94 75.29 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.344 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.77 -44.9 84.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 109.865 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -66.67 -40.46 88.6 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.524 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 17' ' ' PHE . 37.0 tp -61.77 -45.97 91.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.904 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.77 -42.79 94.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.51 -36.95 85.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 110.157 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.94 -36.31 83.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.994 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.1 mt -62.05 -32.35 72.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.19 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.18 -40.35 90.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.387 0.613 . . . . 0.0 109.456 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.11 -41.32 77.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.384 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 97' ' ' ALA . 67.3 mt -61.65 -39.09 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.501 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.2 mtm105 -60.53 -35.24 75.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -69.3 -39.85 78.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 110.296 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.52 -30.23 68.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.629 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.43 61.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.182 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.65 -26.19 37.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.7 mttm . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.517 177.027 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -63.8 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.116 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.99 -47.56 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.489 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -70.95 -43.88 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -60.69 -45.19 96.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.138 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.13 -39.31 82.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.773 0.321 . . . . 0.0 110.967 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.06 -39.18 88.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.679 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.3 tp -60.66 -45.46 94.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.986 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 10' ' ' GLY . 58.7 t -61.59 -44.24 98.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 16.1 mm100 -62.64 -45.73 91.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.623 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.77 96.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 22.4 m-85 -62.97 -37.52 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -65.64 -36.52 83.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.69 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 64.8 mtt180 -62.11 -35.05 77.55 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.4 tp -60.87 -41.06 95.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.98 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HE ' ' HB2' ' A' ' 21' ' ' ARG . 35.1 mtm180 -65.63 -48.27 72.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.196 0.522 . . . . 0.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -42.18 95.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.107 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 28' ' ' ASP . 61.7 mt -67.39 -38.48 80.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 177.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CZ ' HD13 ' A' ' 87' ' ' LEU . 25.9 t80 -60.6 -43.04 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.608 176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.6 -27.12 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.049 0.452 . . . . 0.0 110.568 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.95 -17.57 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.22 27.53 73.63 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.768 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' HB3' HG23 ' A' ' 23' ' ' ILE . 6.7 t70 -93.59 93.0 7.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.979 0.419 . . . . 0.0 110.752 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.14 -28.84 69.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.398 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.26 -50.67 52.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -68.13 -29.93 68.96 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.21 -38.86 80.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.011 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.81 -39.34 93.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 111.394 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 85.9 mm-40 -63.17 -40.84 98.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.4 t -62.73 -35.64 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.56 -37.83 82.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.266 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.42 -37.67 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.971 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 58.8 mt-10 -65.91 -45.69 81.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.044 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.2 mm -59.74 -37.87 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.375 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.01 -47.38 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.182 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -69.67 -46.37 66.26 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.074 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 75.1 mt -61.51 -40.68 95.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.195 -175.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.92 -46.16 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.629 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -41.63 97.32 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.131 0.491 . . . . 0.0 110.838 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -69.86 -44.26 70.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.78 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -64.94 -38.68 91.77 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.237 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.49 -42.88 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.13 -45.12 82.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 93.3 mt -67.41 -46.55 72.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.9 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.62 -39.31 94.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.744 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -73.65 -20.36 60.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.9 mmp_? -72.58 -25.36 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -133.95 -158.17 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -149.15 127.13 11.91 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.87 31.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.464 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.927 0.394 . . . . 0.0 111.098 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.51 -25.44 66.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.997 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 m -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.108 0.48 . . . . 0.0 110.359 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.11 -39.87 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.336 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.93 79.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.525 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.372 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.18 -42.47 75.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -66.2 -42.52 88.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.132 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.57 -36.21 87.78 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.863 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -41.0 95.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.38 -41.06 89.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.448 ' HZ2' ' CZ ' ' A' ' 17' ' ' PHE . 74.8 t-105 -68.01 -46.75 70.38 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.783 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.91 -38.4 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.88 -39.75 93.02 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.28 -47.34 84.74 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.822 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -68.42 -36.87 79.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -61.95 -42.06 98.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -64.74 -37.69 88.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.022 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.56 -45.37 94.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -63.84 -44.02 94.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.42 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.44 -42.54 98.92 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.178 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.47 88.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.27 -46.09 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.355 0.597 . . . . 0.0 109.877 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.6 -37.41 87.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.827 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -87.39 -9.29 55.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.939 0.399 . . . . 0.0 111.32 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.81 66.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.091 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.27 87.61 7.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 87' ' ' LEU . 24.7 pttm -70.66 -26.41 63.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.129 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.29 -42.85 99.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -70.52 -39.46 74.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 84' ' ' LYS . 94.8 mt -59.54 -43.44 93.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.196 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.58 -46.45 83.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.178 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 46.8 tt0 -70.2 -40.82 74.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.573 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.5 mt -60.75 -36.18 78.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.728 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.8 mt -60.02 -43.23 95.39 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.187 0.517 . . . . 0.0 110.031 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.36 -44.43 75.25 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.253 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 45.3 mm-40 -63.26 -41.83 99.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.62 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 98' ' ' LEU . 42.9 tp -61.53 -45.33 94.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.295 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.13 -43.05 91.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -66.39 -39.42 89.04 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.48 96.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.29 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -66.79 -32.9 74.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.12 -40.62 96.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 88.3 tttt -64.06 -41.11 97.48 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.116 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.51 -38.29 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.368 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -61.0 -36.65 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.982 0.42 . . . . 0.0 110.132 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.85 -38.77 76.58 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.141 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 98.6 mt -65.56 -33.69 76.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.08 -15.63 62.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -91.43 -25.08 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.235 0.323 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.873 178.404 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 mttp . . . . . 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.439 HD11 ' HB1' ' A' ' 105' ' ' ALA . 9.8 tt -65.5 -42.86 91.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.796 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -63.21 -43.77 97.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.8 -45.45 92.58 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.589 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.36 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -40.52 99.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.548 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.1 t70 -66.23 -40.88 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.612 0.244 . . . . 0.0 110.557 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.79 -36.83 80.0 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.098 177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.92 -46.13 91.89 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.992 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' GLY . 87.4 t -58.73 -44.16 89.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 64.1 mt-30 -62.27 -39.53 93.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 110.221 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.07 92.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.905 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -67.12 -38.92 86.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.687 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.59 -38.54 91.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.174 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -65.03 -44.02 90.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.36 -37.75 84.51 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.868 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -58.16 -45.68 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.288 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.02 -40.79 78.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.084 0.469 . . . . 0.0 110.517 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.22 -42.0 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.34 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.69 -43.29 97.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.559 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.66 -34.11 77.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.73 -18.48 54.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.676 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.37 73.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.135 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -85.79 93.23 8.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 110.481 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.72 -26.68 67.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.522 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.46 -53.11 53.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.496 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.8 p -74.09 -31.16 62.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.0 tt -59.23 -47.64 84.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.952 -174.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.0 -36.52 82.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.25 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.12 -39.16 93.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 39' ' ' ILE . 94.3 t -68.02 -35.09 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 90.0 mt -60.23 -36.24 77.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.37 -44.35 95.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.667 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.754 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.1 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.24 -40.68 91.1 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.687 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.04 -42.58 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.25 -39.89 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.406 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.3 mt -60.7 -46.15 96.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.527 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.305 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.23 -45.69 93.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.277 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -66.37 -43.48 85.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.654 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -62.11 -43.95 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.826 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -42.27 75.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.689 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.56 -43.44 98.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 110.935 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -69.56 -39.8 77.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.24 -34.13 74.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.016 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.91 -34.21 74.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.464 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -65.28 -25.13 67.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.699 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 71.39 100.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.69 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -163.53 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.922 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -112.82 -29.81 7.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.664 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.34 175.88 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.295 0.638 . . . . 0.0 110.732 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.6 m -65.05 -44.93 87.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 10.3 tp10 -75.14 -37.07 61.5 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.21 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.7 99.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.779 0.324 . . . . 0.0 110.813 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.71 83.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.03 -44.44 80.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.782 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.87 -39.93 79.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.543 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.14 -40.26 96.75 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.107 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.69 -41.78 98.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.67 0.271 . . . . 0.0 111.355 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.19 -39.1 92.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -68.92 -44.83 72.32 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.083 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -67.39 -40.59 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.83 -27.23 69.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.612 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.07 -43.98 95.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.67 -34.32 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.326 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -60.58 -45.37 94.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.252 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 74' ' ' ARG . 27.4 mmt180 -64.3 -37.12 86.36 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.505 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.8 t80 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -64.97 -36.89 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -44.46 75.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.17 -35.91 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.5 mt -62.51 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.216 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.753 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -78.05 -14.59 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.881 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.47 25.76 75.18 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.549 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.1 t70 -89.39 92.85 9.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 87' ' ' LEU . 60.5 mttp -71.47 -33.39 69.27 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.63 -35.42 80.74 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.82 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 34.3 m -70.62 -39.68 73.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 97.4 mt -59.58 -48.48 81.51 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.185 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.18 -44.11 96.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.2 -40.25 95.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.867 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 86' ' ' SER . 92.5 mt -64.58 -36.8 85.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.5 mt -64.7 -45.09 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 110.222 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.26 -44.91 90.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.414 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.05 -34.74 78.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.923 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.06 -47.04 88.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.207 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.36 -42.51 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.464 . . . . 0.0 110.963 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.11 -36.8 85.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.076 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.59 -37.97 86.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.185 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.48 -40.46 96.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 14.2 mm100 -63.53 -44.24 94.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.38 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -61.57 -45.83 92.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -60.21 -44.99 96.65 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -60.37 -46.71 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.105 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 7.1 mm-40 -64.54 -44.61 90.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.076 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 105' ' ' ALA . 4.2 pp -73.94 -35.66 64.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 6' ' ' LEU . . . -75.03 -31.91 61.45 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.69 -24.53 17.82 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.617 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? . . . . . 0 N--CA 1.469 0.507 0 C-N-CA 123.462 0.705 . . . . 0.0 112.09 -178.93 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.44 -36.75 65.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.492 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -63.39 -47.13 83.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -64.79 -45.55 85.8 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.705 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 m -68.1 -37.03 80.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.068 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -61.71 -44.31 98.08 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.381 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 20.8 t70 -69.47 -38.12 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.192 0.52 . . . . 0.0 109.995 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.66 -38.93 86.52 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.241 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' O ' ' HD1' ' A' ' 17' ' ' PHE . 73.7 mt -63.34 -44.35 95.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.178 176.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 98.3 t -58.24 -40.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.63 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 73.8 mt-30 -61.36 -44.62 96.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.1 77.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.519 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 37.2 m-85 -63.33 -37.11 85.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.494 178.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 15.7 mm100 -60.92 -38.1 84.59 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 98.6 mtt180 -62.98 -40.67 98.45 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.623 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.3 tp -60.83 -45.61 93.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.829 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -65.15 -45.3 85.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.71 -47.02 87.19 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.524 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.432 HD12 ' CG2' ' A' ' 35' ' ' VAL . 72.3 mt -67.07 -38.3 80.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.17 -39.46 86.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.503 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.13 -30.25 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -77.81 -18.44 56.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.238 0.542 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 14.93 80.37 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.47 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.72 93.37 8.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.243 0.544 . . . . 0.0 110.498 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.21 -26.83 68.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.623 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.96 -51.37 59.05 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.536 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.3 m -68.09 -32.19 72.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.172 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.88 -36.5 84.13 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.225 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.42 -39.84 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.811 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' ILE . 49.0 t -61.98 -34.4 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.585 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.2 mt -59.14 -39.36 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.68 -42.75 95.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.454 . . . . 0.0 110.413 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.07 -37.32 86.74 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.165 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.2 mm -64.19 -38.76 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.945 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.5 mt-10 -58.85 -45.67 89.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.18 -45.67 90.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.545 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.55 -39.55 84.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.329 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.1 mt -60.14 -44.47 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -62.33 -42.03 99.05 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.145 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -45.48 85.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.263 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -68.24 -39.48 82.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -62.89 -38.1 89.55 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.025 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.735 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.09 -42.25 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.09 -37.73 69.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.571 ' OD2' ' HA ' ' A' ' 56' ' ' ALA . 21.5 t70 -63.49 -41.72 98.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.16 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.81 -29.4 64.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.202 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.365 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -74.83 -87.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.42 . . . . 0.0 110.282 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.22 25.28 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.358 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.571 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 66.67 92.85 0.08 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.244 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.3 70.77 1.36 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.195 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.051 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.1 m -68.24 -39.91 82.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.77 -45.36 61.9 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.21 -29.34 70.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.59 73.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.667 0.27 . . . . 0.0 110.75 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -76.66 -38.93 53.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.179 0.514 . . . . 0.0 109.804 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.1 -35.92 91.53 Favored Glycine 0 C--O 1.217 -0.939 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.665 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -60.93 -41.89 97.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.754 0.277 . . . . 0.0 111.272 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -71.35 -40.5 70.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.232 0.539 . . . . 0.0 110.043 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -64.99 -48.97 72.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -67.95 -38.84 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 56.8 tt0 -63.08 -30.67 71.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.801 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.76 -45.27 94.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -68.53 -33.73 74.63 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -60.23 -41.98 94.26 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 79.8 mtt180 -59.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' ' 79' ' ' ILE . 53.0 t80 -63.78 -43.43 96.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.718 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -60.53 -43.89 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.295 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.68 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.9 mm-40 -60.3 -46.06 91.19 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.7 83.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 75' ' ' PHE . 43.5 mm -63.7 -45.08 98.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 0.0 109.991 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.58 -37.7 80.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.973 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 26.4 mmtp -84.25 -13.72 51.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.904 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.05 41.93 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.176 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -93.95 96.98 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' ' 87' ' ' LEU . 13.6 tppt? -71.6 -37.53 70.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.4 -176.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -66.86 -34.37 77.64 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -175.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 38.3 m -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.056 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 91.0 mt -58.05 -46.28 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.68 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.57 -44.29 74.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.3 mt -62.62 -36.85 84.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.14 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.3 mt -60.85 -35.68 77.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.966 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 tp10 -65.53 -45.87 81.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.8 -40.08 76.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 110.134 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 98' ' ' LEU . 45.1 tp -61.98 -40.64 96.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.136 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 12.1 tp10 -59.23 -39.24 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.54 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 84.3 mm-40 -60.23 -39.51 86.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.269 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.97 82.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.657 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.2 mm? -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.655 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 86.0 mm-40 -62.53 -42.06 99.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 23.7 ttmm -67.03 -41.05 87.24 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.494 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.66 -41.34 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.924 0.392 . . . . 0.0 110.521 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 102' ' ' ARG . 61.4 mtt85 -60.65 -46.75 89.12 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.67 -30.71 64.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 78.7 mt -68.45 -41.36 80.38 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.83 -27.28 62.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.162 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -83.2 -16.3 47.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.862 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? . . . . . 0 C--O 1.236 0.381 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.298 -177.689 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.239 0.512 0 CA-C-O 120.439 0.162 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 63.97 40.32 7.35 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.526 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 11.7 p90 -64.79 -19.04 65.61 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.18 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.1 -44.67 87.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -70.23 -38.2 75.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 tp -69.35 -44.96 70.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 10.8 mmt180 -67.03 -44.4 80.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.03 -46.11 90.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.149 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.3 m -65.31 -39.51 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.82 -44.3 97.67 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.394 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.4 -43.27 94.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 110.787 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.64 -37.18 80.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.92 -48.87 77.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.279 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 10' ' ' GLY . 82.4 t -58.91 -44.23 90.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.704 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.513 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 14.6 mm100 -62.3 -43.45 98.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.09 85.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 94' ' ' LEU . 25.3 m-85 -65.38 -38.44 90.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.379 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.9 mm100 -61.55 -43.65 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 2.9 mpt_? -64.56 -35.66 81.71 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.162 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.18 -43.95 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.556 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -65.11 -39.98 93.88 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 42.0 mt-10 -63.19 -41.6 99.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.788 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 19' ' ' ARG . 83.5 mt -66.13 -38.37 81.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.363 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.63 -39.21 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.604 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.5 -28.2 69.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.13 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.48 -17.67 50.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.11 19.19 75.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.874 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -90.28 93.73 9.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.577 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -69.52 -25.96 64.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.926 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.38 -50.72 58.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.194 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.0 m -67.01 -34.35 77.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -62.14 -46.43 89.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.602 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.92 -40.57 95.26 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -63.71 -44.84 92.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.837 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' SER . 89.0 t -63.27 -34.69 68.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.751 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.1 mt -60.0 -36.12 76.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.349 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.37 -41.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.85 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' ILE . 38.4 mm -60.15 -38.82 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.065 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.77 -43.26 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.606 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.71 -41.08 98.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.876 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.61 -40.58 84.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.5 mt -59.62 -43.77 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.9 -44.36 96.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.139 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -70.27 -40.24 74.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -65.59 -41.72 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 109.74 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -63.55 -36.21 83.04 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.651 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.2 -42.98 99.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.866 0.365 . . . . 0.0 110.418 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.8 mt -67.47 -42.63 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.408 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -68.04 -40.45 82.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 19.5 t70 -68.33 -25.3 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.137 0.494 . . . . 0.0 110.662 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -81.37 -44.51 17.48 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.291 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -75.1 -31.97 61.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 51' ' ' ASP . 11.6 pt20 -18.68 91.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -174.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 55' ' ' GLU . 8.8 pt-20 -92.64 -16.37 25.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.34 -176.76 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.31 127.6 32.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.691 0.282 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.6 -37.02 82.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -61.22 -41.95 97.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.978 0.418 . . . . 0.0 110.283 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.47 -40.97 73.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.558 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.81 95.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 -42.96 68.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.633 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.8 -32.76 74.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.03 -42.02 97.24 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.15 -37.92 95.23 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 9.9 t70 -61.25 -41.81 97.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.422 -0.389 . . . . 0.0 110.537 177.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.27 -42.51 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.4 -43.02 99.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.462 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 65' ' ' GLY . 72.2 t -63.94 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 49.3 mt-30 -63.04 -30.59 71.72 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.515 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.04 -48.39 71.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-O 120.845 0.355 . . . . 0.0 110.461 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.52 -35.17 70.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.471 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 22.1 tm0? -61.04 -46.57 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.847 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -68.7 -35.43 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.609 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 71.9 t80 -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.889 -178.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.59 -38.85 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.794 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 12.1 mm-40 -61.91 -39.78 93.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.363 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.627 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 78.5 mt -62.49 -43.06 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.55 -36.66 83.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.975 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -78.18 -14.22 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.24 23.87 73.31 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 15.7 t70 -87.02 96.87 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.126 0.488 . . . . 0.0 110.971 -176.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -65.32 -29.35 70.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.12 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.44 -47.67 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 18.6 m -70.0 -36.41 75.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.8 mt -59.4 -48.2 82.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.338 -178.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 44.1 mt-10 -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.904 0.383 . . . . 0.0 111.042 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.09 -43.19 99.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.803 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 86' ' ' SER . 95.4 mt -67.99 -35.85 79.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.412 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.9 mt -61.06 -41.0 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.465 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 51.8 mm-40 -65.47 -44.31 87.56 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.117 0.484 . . . . 0.0 110.176 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.89 -41.1 90.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.818 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 17' ' ' PHE . 66.9 tp -61.96 -45.9 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.615 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 51.0 mt-10 -62.99 -46.94 85.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.51 -35.51 80.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -64.19 -40.91 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.389 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.1 mt -62.7 -40.46 97.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 95.6 mt-30 -62.69 -40.85 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.39 -45.69 68.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 97' ' ' ALA . 74.5 mt -60.67 -39.92 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.824 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -60.59 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 6.9 mm-40 -66.36 -37.84 86.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.896 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.04 -33.87 75.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.437 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.7 67.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.023 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.32 -2.9 58.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.482 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.2 tptm 62.78 49.15 3.82 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.57 0.7 . . . . 0.0 110.6 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.41 99.93 11.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.499 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.166 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.121 0.486 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.53 -26.1 18.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.26 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -85.14 126.97 34.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 33.7 tt0 -60.18 -37.01 78.88 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.27 0.356 . . . . 0.0 111.24 -176.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -62.04 -41.49 98.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.139 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.58 -38.24 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -63.28 -46.83 84.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.95 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 73.4 mm-40 -63.81 -45.06 91.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.462 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.47 -47.07 80.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.151 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.67 -41.61 89.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.836 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.46 -46.9 68.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.45 0.167 . . . . 0.0 111.055 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.85 -36.48 84.07 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.281 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.49 -48.6 81.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -66.86 -45.68 87.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 110.673 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 92.9 mm-40 -64.47 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.039 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.52 94.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 110.66 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CD2' HD21 ' A' ' 94' ' ' LEU . 47.5 m-85 -67.63 -38.44 83.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.818 177.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.31 -44.0 97.93 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 38.4 mtm-85 -69.71 -35.91 75.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.2 0.524 . . . . 0.0 109.927 177.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.09 -38.03 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.315 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -58.54 -42.28 87.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.88 -41.3 91.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.681 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 35' ' ' VAL . 73.6 mt -64.53 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.391 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.35 -41.09 94.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.325 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -77.58 -17.81 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.329 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.18 65.82 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.639 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.11 92.4 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.071 0.462 . . . . 0.0 110.069 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.32 -37.19 86.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.948 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.85 -50.25 74.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.888 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -69.33 -30.89 69.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.7 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 14.7 tp -59.75 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.33 -39.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.76 -46.96 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.17 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -65.9 -34.5 70.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.93 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.2 mt -60.12 -39.43 86.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.075 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.79 -39.38 94.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.488 . . . . 0.0 110.194 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.8 mm-40 -61.14 -41.07 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.926 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.8 mt -66.56 -38.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.742 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 52.5 mt-10 -58.84 -40.65 84.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.01 0.434 . . . . 0.0 110.476 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.95 -39.43 90.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.9 mt -65.95 -40.15 91.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 95.4 mt -60.22 -45.73 95.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.276 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -67.79 -39.91 83.98 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.267 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 59.2 mtpt -61.46 -44.56 96.9 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.028 0.442 . . . . 0.0 110.099 177.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.81 -47.68 84.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.34 -35.05 78.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -66.33 -36.58 83.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.584 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.1 mt -62.83 -39.38 94.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.95 -43.35 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.061 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.4 -33.29 75.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.128 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -81.12 -28.95 34.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.301 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' NH2' ' HA ' ' A' ' 109' ' ' ASN . 67.6 ttt180 -67.02 -38.36 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -150.98 120.87 7.09 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.263 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -80.07 94.29 5.93 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.04 -172.94 2.55 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.444 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB3' ' HG3' ' A' ' 60' ' ' GLU . . . -73.9 157.99 35.27 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.747 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.46 -39.15 89.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.034 0.445 . . . . 0.0 110.311 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.89 -33.24 75.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.396 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 44.8 mt-10 -70.94 -41.4 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.299 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.86 91.28 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.34 83.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.822 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.47 -44.54 96.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.18 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.28 -37.99 74.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.309 0.575 . . . . 0.0 110.263 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.97 -46.49 44.25 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.413 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.11 -35.81 78.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.269 0.628 . . . . 0.0 112.395 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.1 -43.14 96.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 0.0 110.127 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -69.33 -41.49 76.59 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.035 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.4 t -61.17 -37.94 78.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.44 -38.89 88.82 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.501 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HG ' ' NH2' ' A' ' 74' ' ' ARG . 2.2 tt -65.41 -46.67 79.06 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.25 -38.68 91.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.48 -45.67 93.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.585 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' NH2' ' HG ' ' A' ' 71' ' ' LEU . 52.8 mtm180 -61.43 -36.99 81.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.148 0.499 . . . . 0.0 110.145 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 79' ' ' ILE . 61.3 t80 -66.76 -46.67 74.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.527 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -62.45 -44.55 96.14 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.853 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.26 -46.18 91.45 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.57 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.14 -35.92 80.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.4 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -64.27 -46.09 94.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.57 -36.78 83.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.382 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 12.6 mptt -88.66 -4.02 58.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.87 31.69 61.92 Favored Glycine 0 C--O 1.235 0.215 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.357 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m-20 -88.39 78.62 7.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.105 0.479 . . . . 0.0 110.665 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.545 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.51 -39.54 84.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.255 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 11.9 m -71.94 -38.46 69.83 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.8 mt -60.13 -48.51 81.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.835 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.73 -36.26 83.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.554 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.59 -35.02 78.2 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.4 mt -66.4 -34.61 78.35 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.318 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 91.2 mt -58.61 -34.38 71.07 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.93 -44.6 95.62 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.997 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.91 -41.03 97.45 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.416 0.627 . . . . 0.0 109.429 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 17' ' ' PHE . 59.6 tp -61.66 -46.12 91.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 43.8 mt-10 -60.14 -46.69 88.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -63.46 -39.26 94.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.6 mt -63.4 -42.32 98.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 68.0 mm-40 -66.16 -39.22 89.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 59.0 tttp -61.21 -40.3 93.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.999 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 97' ' ' ALA . 71.0 mt -60.13 -45.75 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.584 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -68.54 -37.46 79.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.768 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 35.6 mm-40 -60.8 -39.0 87.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.141 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.5 mt -73.47 -40.97 63.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.036 178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.3 -28.58 63.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.085 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -2.96 58.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.107 0.48 . . . . 0.0 110.862 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -92.61 -6.52 49.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.863 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm 72.63 -64.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.879 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.432 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 92.2 m-20 . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.378 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.37 -35.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 t80 74.2 -17.26 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.829 0.851 . . . . 0.0 111.714 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -63.12 -45.8 90.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -72.8 -34.26 66.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.08 -44.93 87.31 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 7' ' ' ARG . 15.0 ttp180 -70.72 -38.91 73.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.296 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -60.61 -43.31 97.61 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 46' ' ' HIS . 31.2 m -61.58 -35.68 78.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.74 -44.79 88.57 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.04 -44.04 97.0 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 109.975 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.01 -36.84 80.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.801 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.84 -47.44 85.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.8 t -60.15 -45.11 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.797 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.44 -45.85 92.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 39' ' ' ILE . . . -60.59 -44.56 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.413 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -67.82 -38.73 83.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.567 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 86.5 mm-40 -61.34 -44.07 97.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.929 0.395 . . . . 0.0 110.014 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -66.02 -36.78 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.379 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.8 -44.74 96.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -65.0 -40.73 95.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 46.1 mt-10 -60.75 -46.7 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.309 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 28' ' ' ASP . 80.5 mt -66.97 -39.12 82.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.76 -41.78 98.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.97 -32.62 74.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.31 -17.61 48.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.569 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 28.0 54.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.649 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.1 t70 -91.47 92.99 8.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.27 0.535 . . . . 0.0 110.091 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.42 -39.59 87.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.888 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.22 -50.92 71.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.606 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.6 m -71.49 -34.0 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 tp -61.45 -46.88 88.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 0.0 109.896 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.46 -40.63 93.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.724 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.73 -39.83 95.3 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.865 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' SER . 98.6 t -68.83 -34.27 63.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.892 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -59.08 -38.2 78.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.035 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.01 -43.4 95.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.5 tt0 -61.92 -45.45 93.68 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.149 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.9 mt -59.6 -39.29 79.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.97 -42.29 97.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.66 -45.27 94.76 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.0 mt -61.95 -42.66 99.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.017 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.1 mt -60.85 -46.62 95.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.685 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.47 -44.32 87.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 88.8 tttt -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 78.6 t60 -63.27 -46.62 85.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -34.35 77.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.024 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.06 -45.78 69.5 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.276 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 87.7 mt -63.2 -46.01 89.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.431 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -63.09 -47.68 81.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.846 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.93 -31.25 71.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.629 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -74.15 -28.74 61.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.457 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.5 mmm180 -75.46 -38.91 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.655 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' A' ' 56' ' ' ALA . 60.1 tt0 -174.53 155.1 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.881 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -36.52 51.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.434 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' H ' ' HG2' ' A' ' 54' ' ' GLN . . . 53.72 47.61 23.35 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.888 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.22 111.64 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.971 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.718 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.8 t -64.19 -39.42 93.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.53 -44.73 73.96 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.9 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.541 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.09 84.58 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.101 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.718 ' HG2' ' O ' ' A' ' 59' ' ' THR . 29.3 mmtp -66.5 -43.66 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 110.539 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -65.92 -43.37 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.082 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -45.78 68.81 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.656 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.25 -41.65 97.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.644 0.259 . . . . 0.0 111.555 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 77.6 mm-40 -70.26 -39.07 75.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -68.21 -46.04 71.68 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.44 -41.43 91.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.632 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.25 -42.3 99.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.74 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.263 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.84 -43.2 99.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.115 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' HA ' ' HG3' ' A' ' 76' ' ' ARG . 50.2 tt0 -60.85 -44.9 96.36 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 178.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -59.8 -42.48 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.836 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.441 ' HA ' HD13 ' A' ' 90' ' ' LEU . 56.2 t80 -66.73 -48.09 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.63 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -65.65 -33.82 76.77 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.294 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.63 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 7.8 tp10 -60.03 -46.13 90.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.921 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.57 -36.27 83.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.581 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.0 mm -64.54 -47.1 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.075 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.62 -34.71 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.336 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.62 -11.35 59.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.188 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.49 31.94 68.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.684 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 t70 -97.59 96.14 8.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.0 110.741 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 87' ' ' LEU . 96.5 mttt -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.496 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.3 -49.93 75.43 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.756 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 p -72.21 -34.28 68.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.972 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.4 mt -59.29 -40.98 87.85 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.05 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.3 mt-10 -62.91 -39.28 94.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.724 0.297 . . . . 0.0 111.069 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.06 -37.82 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.21 0.528 . . . . 0.0 109.983 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 75' ' ' PHE . 24.4 mt -61.3 -35.88 78.56 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.665 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.4 mt -59.14 -40.42 85.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.136 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -69.92 -41.71 74.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 110.758 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -34.78 78.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.175 0.512 . . . . 0.0 110.448 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 98' ' ' LEU . 31.6 tp -61.35 -45.02 96.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.537 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.18 -46.2 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.998 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.25 -41.95 99.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.57 86.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.901 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -67.93 -38.98 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 78.8 mt-30 -63.64 -40.54 97.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.03 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 86.2 tttt -61.83 -47.18 86.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.815 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.02 -42.89 97.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -63.93 -39.04 93.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.241 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 24.4 mm-40 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.162 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 90.6 mt -65.4 -31.89 73.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 110.578 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.63 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -84.93 -2.6 58.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.364 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -81.66 95.47 7.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.859 0.362 . . . . 0.0 110.513 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -87.47 111.34 21.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.009 -179.754 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.5 -28.14 68.33 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 106' ' ' GLU . 32.1 t80 -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 177.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.71 -44.56 93.65 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.701 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.81 -42.98 97.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.227 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.87 -42.53 69.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.399 . . . . 0.0 110.692 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HD3' ' C ' ' A' ' 7' ' ' ARG . 3.7 tmt_? -63.33 -45.69 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.381 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -69.89 -34.47 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -62.96 -41.47 99.54 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -66.77 -39.89 93.68 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 17.8 t70 -60.27 -39.08 85.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.965 0.506 . . . . 0.0 110.798 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.69 -37.17 83.13 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.238 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.27 -39.59 92.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.636 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 98' ' ' LEU . 47.4 t -58.77 -42.3 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.15 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 73.8 mm-40 -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.183 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.43 91.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.46 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 94' ' ' LEU . 46.2 m-85 -67.49 -40.44 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -64.2 -41.9 96.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.14 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 23' ' ' ILE . 20.8 tpp180 -66.4 -36.54 83.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.901 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.88 -42.82 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.257 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -63.41 -40.0 96.02 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 46.7 mt-10 -61.97 -45.4 93.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.787 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 19' ' ' ARG . 75.1 mt -63.65 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.309 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.64 -41.0 94.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.826 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.36 -30.13 69.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.227 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.1 mttt -77.69 -17.35 57.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.57 27.15 57.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.809 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -93.15 92.45 7.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.0 -27.09 63.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.348 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.86 -51.01 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.976 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 10.8 m -72.2 -33.92 67.99 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.512 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -61.19 -47.29 86.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.259 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.362 . . . . 0.0 111.313 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -64.92 -42.06 95.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' SER . 92.6 t -66.41 -35.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.818 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -60.71 -36.65 79.34 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.09 0.472 . . . . 0.0 110.19 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -38.64 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.335 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.03 -44.68 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.9 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.7 mt -60.03 -38.93 78.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.468 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.84 -39.16 90.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.66 -44.08 82.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.803 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 45' ' ' LYS . 96.6 mt -61.78 -39.09 90.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.893 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 39' ' ' ILE . 98.2 mt -59.98 -44.34 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.041 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.71 -37.62 87.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.067 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 80.5 tttt -60.7 -45.08 95.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.989 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -64.93 -45.32 86.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.094 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 39.2 mmt180 -61.91 -42.51 99.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.603 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 99.2 mt -66.75 -35.8 80.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -73.13 -41.07 64.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.744 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.64 -34.87 77.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -71.17 -19.79 62.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.677 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 25.5 mmt180 -75.78 -37.49 59.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 0.0 110.649 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -145.02 86.4 1.78 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.132 0.492 . . . . 0.0 110.196 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.383 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.46 -20.89 59.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.86 30.38 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.307 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.31 -37.78 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.636 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.5 m -76.22 -42.06 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.524 0.202 . . . . 0.0 111.515 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.53 -44.53 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.651 0.262 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.25 86.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -42.76 78.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -72.38 -37.68 68.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.867 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.61 -40.88 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.3 -36.05 91.14 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.536 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.75 -42.0 96.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.824 0.345 . . . . 0.0 110.734 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -69.54 -35.05 75.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' HE1' HD13 ' A' ' 43' ' ' ILE . 52.9 t-105 -67.13 -47.6 70.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.219 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' GLY . 91.1 t -61.91 -39.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 22.1 tp60 -62.24 -42.03 98.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.252 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.45 -42.95 91.82 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -61.86 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.495 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.72 -37.44 87.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.04 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 95.8 mtt180 -58.76 -37.67 76.76 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.34 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.557 ' O ' HG13 ' A' ' 79' ' ' ILE . 73.6 t80 -63.5 -46.96 83.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.576 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -65.52 -41.39 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 10.3 mm-40 -60.87 -42.91 98.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.36 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.23 83.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 75' ' ' PHE . 77.1 mt -64.11 -42.06 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.08 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.938 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 84.8 mttt -80.07 -13.59 59.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.459 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.0 70.43 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.955 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.749 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.0 t70 -87.39 91.52 8.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -70.99 -36.34 72.43 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.832 -173.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -65.16 -36.18 83.41 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.609 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 24.3 m -70.69 -38.83 73.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.819 177.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.5 mt -60.02 -47.61 85.15 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.77 -45.44 85.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -67.75 -42.89 81.08 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.802 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.5 mt -61.41 -36.49 80.46 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.384 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.7 mt -59.61 -46.17 89.75 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.21 -44.05 72.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.733 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.57 -40.42 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.073 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 98' ' ' LEU . 38.3 tp -66.2 -46.42 77.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.774 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.62 -42.97 97.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.866 0.365 . . . . 0.0 111.254 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.82 -35.21 79.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -38.09 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.85 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 14' ' ' VAL . 4.1 mm? -63.3 -35.25 79.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.308 177.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 16.0 mm100 -62.85 -38.22 89.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.497 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 32.0 mmtm -67.74 -36.32 80.35 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.885 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.44 HD12 HD13 ' A' ' 98' ' ' LEU . 67.0 mt -61.94 -40.31 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 0.0 110.066 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.28 -38.17 85.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.6 mt-10 -73.07 -44.92 59.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.768 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -61.48 -28.38 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.356 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -29.41 70.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 0.0 111.079 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.503 ' HB2' ' CE1' ' A' ' 3' ' ' PHE . 31.6 tt0 -94.85 -22.41 18.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.27 0.557 . . . . 0.0 110.559 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -97.86 8.11 45.26 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.99 97.56 2.33 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.233 178.575 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.68 135.7 47.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.598 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 72.1 m-85 -118.64 -35.27 3.76 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.06 -43.41 95.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.899 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -65.44 -32.7 74.45 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.977 0.417 . . . . 0.0 110.783 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 58.1 mtp180 -62.94 -44.28 96.49 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.019 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -61.3 -44.5 97.11 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.062 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -67.49 -35.07 78.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.134 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.62 90.13 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.24 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 19.5 t70 -66.47 -35.54 80.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.718 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.22 -45.44 91.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.277 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.58 -46.67 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.616 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 41.8 t -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.776 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 14.1 mm100 -67.71 -40.22 84.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.494 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.07 -40.5 93.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD2' HD21 ' A' ' 94' ' ' LEU . 42.7 m-85 -67.4 -36.85 82.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 81.4 mm-40 -61.43 -42.89 99.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 26.4 ptt85 -68.78 -32.96 73.06 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.228 0.537 . . . . 0.0 109.64 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.41 -39.33 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.53 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -59.46 -38.5 80.96 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.654 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -45.11 94.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.211 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.1 mt -67.9 -41.02 84.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.376 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.57 -38.69 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.06 -33.98 74.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -84.28 -7.38 59.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.954 0.407 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.43 27.43 73.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.063 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.53 92.47 9.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.951 0.405 . . . . 0.0 110.101 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -61.17 -39.32 89.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.574 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 4.6 m-20 -60.42 -51.35 69.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.372 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.0 m -70.26 -33.33 71.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 23.7 tp -61.56 -47.26 86.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.308 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.58 -40.85 93.19 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 80.0 mm-40 -60.42 -42.82 96.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.5 t -70.09 -34.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 72.6 mt -60.1 -37.1 78.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.671 0.272 . . . . 0.0 110.386 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 33.6 tt0 -63.36 -43.48 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.3 tt0 -63.38 -41.69 98.79 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.145 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.0 mm -59.73 -40.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 39.5 tt0 -61.39 -40.67 95.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.796 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 40.1 mt-10 -66.53 -41.91 88.05 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.7 mt -61.89 -39.63 92.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.333 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.7 mt -60.22 -40.99 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 82.8 mm-40 -62.32 -39.92 94.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -66.1 -43.41 87.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.317 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.018 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -60.08 -44.62 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.06 -44.72 68.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.69 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.15 -43.29 87.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.776 0.322 . . . . 0.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 68.0 t80 -66.31 -36.99 84.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.59 -33.77 60.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.99 -35.13 79.16 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -70.69 -24.15 62.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.515 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 78.4 mm-40 -73.42 86.06 1.52 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -87.75 103.18 15.37 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 72.6 154.36 0.14 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.89 -173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.67 16.85 10.61 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.934 0.397 . . . . 0.0 111.332 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.04 -21.73 66.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.878 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -62.61 -31.19 71.98 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.999 0.428 . . . . 0.0 110.597 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.03 -38.56 72.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.165 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.17 -33.72 76.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.481 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.85 83.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.286 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -72.01 -40.93 68.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.657 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.52 -36.73 84.73 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -33.75 85.17 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.097 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 2.1 mp0 -65.05 -38.98 92.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.7 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -68.0 -45.83 72.99 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.92 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.723 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -62.54 -35.85 80.74 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 93.7 mt -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.521 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.88 -45.19 82.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.73 -37.68 88.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -64.2 -36.58 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' HA ' HD13 ' A' ' 90' ' ' LEU . 70.3 t80 -66.33 -46.96 75.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -63.05 -40.29 97.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 111.175 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.84 -44.07 97.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 75' ' ' PHE . 77.7 mt -68.83 -45.37 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.63 -37.14 86.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.189 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.81 -13.38 59.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.637 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.45 31.56 74.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.035 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.5 t70 -95.23 97.64 10.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -60.04 -33.06 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.33 -44.65 92.59 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.545 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -70.88 -35.64 72.43 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.467 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 93.7 mt -61.73 -49.72 75.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.57 -42.1 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.513 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -68.92 -37.55 78.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.206 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 75' ' ' PHE . 29.6 mt -61.69 -35.92 79.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.914 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 98.9 mt -59.13 -38.43 79.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.916 0.389 . . . . 0.0 110.092 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.4 -45.29 66.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.859 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.03 -42.77 84.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 17' ' ' PHE . 51.5 tp -62.19 -45.41 93.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.884 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.46 -37.64 88.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.26 -42.23 94.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 110.117 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.29 85.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.45 -39.14 92.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.14 -41.49 99.3 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.18 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.91 -46.75 67.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.922 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.91 -37.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -60.49 -46.83 88.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.28 -40.23 95.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.16 -41.48 85.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.238 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.69 -28.62 63.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 7' ' ' ARG . 9.3 mm-40 -76.0 -20.74 57.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.07 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 tttp 59.91 40.4 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -68.44 110.68 4.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.747 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.929 175.358 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.09 -55.98 5.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 106' ' ' GLU . 35.5 t80 -62.82 -21.66 66.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.801 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 28.6 tt0 -58.38 -42.22 86.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.946 0.403 . . . . 0.0 110.215 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -70.16 -42.05 72.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.803 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 105' ' ' ALA . 4.3 mm? -63.63 -38.9 92.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.393 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -62.87 -43.15 99.57 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.488 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.701 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.3 mt-30 -61.74 -47.94 82.94 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.983 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 m -69.82 -44.4 70.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.778 0.323 . . . . 0.0 111.482 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.44 -39.6 96.5 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.507 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.75 -36.08 75.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.248 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 55.0 mt-10 -60.71 -38.01 83.62 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 110.427 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.02 -47.63 85.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 51.9 t -60.73 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 80.1 mt-30 -61.63 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.032 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.29 74.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.716 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 94' ' ' LEU . 20.0 m-85 -62.42 -38.25 88.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 84.0 mm-40 -61.51 -43.21 99.28 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.407 177.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 6.5 mpt_? -69.37 -32.59 71.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 HD13 ' HB ' ' A' ' 35' ' ' VAL . 37.8 tp -59.41 -42.7 92.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.756 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -65.21 -38.66 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.79 -45.52 94.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.505 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.1 mt -67.1 -39.53 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.354 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -60.89 -39.93 91.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.9 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.65 -32.91 74.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.68 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -82.26 -17.84 44.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 0.0 110.895 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.94 25.49 64.37 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.106 -0.569 . . . . 0.0 113.172 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.56 91.8 8.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.93 0.365 . . . . 0.0 110.262 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.44 -44.18 89.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.043 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.44 -44.04 97.37 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.071 0.462 . . . . 0.0 110.923 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -71.63 -32.95 68.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.612 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.56 -47.23 84.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.4 -36.03 82.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.15 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 tm0? -59.06 -40.4 85.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.396 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 39' ' ' ILE . 61.5 t -69.55 -36.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.31 -36.64 78.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.617 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.98 -40.81 91.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.938 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 mm-40 -64.0 -43.15 96.54 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.213 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.2 mm -59.82 -39.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.307 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.42 -41.55 89.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.507 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 87.5 mt-10 -68.21 -40.46 82.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -64.59 -40.38 95.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.172 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 97.6 mt -60.24 -41.57 87.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 110.135 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.75 -36.65 84.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.012 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 62.1 mtpt -61.55 -44.46 97.0 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.482 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.95 -42.16 97.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.472 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' ARG . 31.0 mmt180 -66.88 -38.66 86.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.702 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -63.65 -40.24 96.34 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.111 0.481 . . . . 0.0 110.173 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 95.0 mt -68.42 -38.12 80.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.943 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -67.21 -39.08 86.25 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 15.2 t70 -64.28 -33.98 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.443 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.12 -36.87 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.332 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -75.32 -40.18 58.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.884 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 6.3 tp-100 38.96 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.241 1.017 . . . . 0.0 112.623 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -110.63 24.41 13.0 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 120.952 0.406 . . . . 0.0 111.415 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.66 13.16 6.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.03 65.03 6.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.245 0.545 . . . . 0.0 109.941 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.73 -42.95 73.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.49 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -65.74 -41.86 91.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.61 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.8 tt0 -68.95 -41.62 77.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.462 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.1 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.05 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.209 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -63.1 -45.0 94.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.06 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 11.5 pt20 -75.41 -37.67 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.075 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -68.48 -46.62 61.9 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.716 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.72 -41.91 98.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.409 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.439 ' HE1' ' CD1' ' A' ' 43' ' ' ILE . 73.7 t-105 -66.79 -40.24 88.07 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -63.61 -42.78 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.2 -44.97 93.86 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.09 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -65.02 -38.99 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.84 -45.33 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.233 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -62.57 -39.94 95.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.026 0.441 . . . . 0.0 110.381 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 t80 -63.74 -44.63 92.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.769 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -42.79 99.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.074 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.3 -46.86 88.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.715 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.64 83.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.361 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.7 mt -64.98 -41.19 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.92 0.39 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.19 -35.87 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.975 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.57 -13.55 57.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.99 31.45 66.83 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.962 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -96.97 96.33 8.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.904 0.383 . . . . 0.0 110.38 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -70.28 -24.86 63.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.334 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.63 -46.55 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.462 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.8 p -71.21 -39.5 71.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.555 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 96.7 mt -59.36 -41.27 88.85 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.95 -47.1 83.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.554 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.4 mt -63.93 -41.01 97.76 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.666 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.2 mt -61.32 -44.59 96.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.414 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.96 -45.52 92.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.748 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.89 -33.59 72.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.27 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.356 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.84 -44.77 93.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.258 0.551 . . . . 0.0 110.42 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.12 -36.54 82.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.892 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.66 -38.08 88.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.8 mt -62.52 -37.72 87.17 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.131 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.16 -44.67 94.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.953 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.587 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.0 mttp -63.55 -43.31 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.68 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.4 mt -59.83 -43.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 19.3 mtp180 -62.3 -39.01 91.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.656 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 107' ' ' LYS . 46.8 mt-10 -69.13 -39.62 78.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.792 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 82.9 mt -66.39 -40.14 89.46 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.582 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 6' ' ' LEU . . . -65.76 -24.1 66.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.41 ' HB2' ' CE1' ' A' ' 3' ' ' PHE . 41.0 tt0 -86.8 -10.5 53.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.202 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 27.3 mtpp -93.72 124.35 37.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.907 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -109.77 -20.13 12.91 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.033 178.537 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 15.8 m . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 120.599 0.238 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 1.5 mp0 -69.37 -24.21 63.85 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -56.92 -54.71 43.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 1' ' ' SER . 15.7 pt-20 -68.28 -31.52 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.228 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 2' ' ' GLU . 97.0 mttt -62.75 -42.48 99.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.0 110.274 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' CD2' ' HD3' ' A' ' 53' ' ' ARG . 46.1 tp -70.57 -36.25 73.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.74 -42.61 85.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.062 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 48.7 tt0 -65.52 -46.11 80.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.2 m -69.47 -36.42 76.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.36 -40.06 98.56 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.58 -40.93 98.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 42.6 mt-10 -60.85 -43.74 97.92 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.66 -48.16 83.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.628 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 95.7 t -64.55 -42.54 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -62.34 -40.79 97.53 Favored 'General case' 0 N--CA 1.419 -1.987 0 C-N-CA 122.784 0.433 . . . . 0.0 110.425 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.83 99.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.5 m-85 -66.13 -39.37 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 76.4 mm-40 -63.88 -36.66 84.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 109.939 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' HG13 ' A' ' 23' ' ' ILE . 19.1 tpp180 -66.57 -40.82 89.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.02 -39.05 88.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.372 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' PHE . 22.6 mtp180 -59.28 -44.53 92.46 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.307 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -64.93 -38.46 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 19' ' ' ARG . 79.4 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.186 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 87' ' ' LEU . 71.2 t80 -67.14 -38.79 86.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.626 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.71 -35.15 77.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.583 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -94.48 -6.83 43.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.008 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 28.84 55.23 Favored Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.934 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.0 t70 -86.36 93.46 9.11 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.325 0.584 . . . . 0.0 110.466 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.73 -43.91 74.95 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.97 -46.38 89.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . 97.8 p -72.6 -31.1 64.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.453 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tt -58.68 -46.24 87.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -174.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -39.79 95.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.865 0.364 . . . . 0.0 111.156 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.8 -43.8 78.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.1 t -62.59 -36.66 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.793 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.5 mt -60.64 -41.44 94.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.319 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.29 -38.03 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.475 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -67.53 -39.09 85.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 43' ' ' ILE . 66.0 mt -61.63 -37.7 78.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 176.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.38 -43.17 88.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.957 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.99 -37.25 86.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.649 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.73 -40.23 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.348 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -60.47 -38.49 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -62.31 -46.24 89.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.792 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.05 -45.43 93.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.299 0.571 . . . . 0.0 109.949 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.622 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -66.45 -34.43 77.93 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.19 -44.79 96.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.78 -37.4 65.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.274 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.72 -48.88 73.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -67.09 -24.2 65.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -80.3 -35.88 35.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 6' ' ' LEU . 43.6 mtp180 -68.75 -39.28 80.38 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.684 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -158.54 143.43 16.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.03 126.65 40.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.47 157.52 17.0 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.583 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -72.09 166.78 21.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.255 178.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.32 -42.25 95.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.176 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -69.74 -42.11 74.35 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.033 0.444 . . . . 0.0 110.506 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' OE1' ' HB3' ' A' ' 57' ' ' ALA . 1.2 mp0 -66.86 -45.72 77.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.395 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.95 86.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.27 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.19 71.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.933 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.74 -44.33 90.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.699 0.285 . . . . 0.0 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -75.72 -40.0 56.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.992 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.21 -44.62 93.58 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.604 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.3 -40.0 92.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.51 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.89 -42.64 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.639 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -67.51 -47.77 69.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 65' ' ' GLY . 76.3 t -61.1 -38.95 80.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -44.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.568 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.7 -44.91 96.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.339 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -65.42 -46.06 81.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.043 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.02 -46.51 81.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.521 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -68.5 -38.51 81.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 79' ' ' ILE . 85.5 t80 -61.73 -49.82 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.106 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -68.26 -35.7 78.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.956 0.408 . . . . 0.0 111.209 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.27 -42.46 99.36 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.658 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -35.15 78.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.038 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.9 mt -61.0 -38.08 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.107 0.48 . . . . 0.0 109.903 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -27.69 69.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -93.91 -13.41 27.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.555 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.3 22.32 78.55 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.19 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 28.8 t70 -87.26 91.07 8.59 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.167 0.508 . . . . 0.0 110.812 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 87' ' ' LEU . 22.2 ptmt -64.66 -24.2 67.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.262 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.66 -49.56 76.09 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 37.9 m -71.96 -39.79 69.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.585 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 24' ' ' PHE . 97.4 mt -59.29 -48.37 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -175.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.679 0.276 . . . . 0.0 111.383 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 52.7 tt0 -69.79 -43.66 71.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.075 0.465 . . . . 0.0 110.235 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.2 mt -61.1 -33.46 73.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.35 -44.0 83.93 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 110.643 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -70.38 -38.28 74.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.996 0.427 . . . . 0.0 110.672 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 7.2 mm-40 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 17' ' ' PHE . 52.8 tp -66.48 -39.9 89.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.361 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.94 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.335 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.05 -35.83 80.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.807 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.0 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.3 mt -62.81 -43.77 97.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 110.45 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -70.29 -35.76 73.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.807 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -61.63 -46.04 91.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.15 -40.82 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.608 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -60.88 -39.46 89.31 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.85 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -63.35 -42.35 98.91 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.352 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.78 -34.58 73.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.41 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -73.34 -31.58 64.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.06 -22.71 17.73 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.293 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 35.6 ttmt -136.25 97.51 3.61 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.18 -173.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -80.37 110.74 16.1 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.314 -0.966 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.576 -178.866 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.35 125.94 25.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.0 t80 73.37 -40.1 0.46 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.892 0.877 . . . . 0.0 110.926 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 34.7 tt0 -59.47 -41.38 89.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.719 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.38 -29.04 70.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 49' ' ' LEU . 69.3 mt -72.43 -44.69 62.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.574 . . . . 0.0 109.753 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.545 ' HG3' ' OE2' ' A' ' 106' ' ' GLU . 49.1 ttp180 -70.2 -47.02 63.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.455 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 10.0 mm100 -63.84 -39.23 93.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.1 m -62.38 -45.56 92.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.675 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -39.99 97.02 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.072 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 44.5 mt-10 -60.15 -41.35 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.876 0.37 . . . . 0.0 110.023 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.56 ' HB3' HD12 ' A' ' 98' ' ' LEU . 43.0 mt -60.39 -47.69 84.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.43 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 43.6 t -59.89 -45.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.764 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.38 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -67.94 -37.31 81.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.856 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 79.4 mm-40 -61.35 -41.15 96.6 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.812 0.339 . . . . 0.0 110.241 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -67.81 -37.22 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.71 -38.17 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.434 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -58.34 -43.87 88.48 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.009 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.5 -43.19 90.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.7 -45.95 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.335 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -64.57 -38.9 92.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.507 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.46 -35.45 77.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -88.67 -16.59 31.95 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.73 27.07 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.614 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.94 90.6 8.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.134 0.492 . . . . 0.0 110.009 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.04 -28.26 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.155 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.59 -51.67 68.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.219 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 m -72.79 -31.49 64.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.1 -44.3 94.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.86 -36.85 72.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.446 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -63.25 -36.17 82.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.971 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 39' ' ' ILE . 60.5 t -62.34 -37.16 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.832 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.69 -37.1 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.911 0.386 . . . . 0.0 110.807 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.3 mm-40 -69.62 -43.06 73.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.816 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.12 -42.19 89.53 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -60.41 -38.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 7.3 tp10 -59.22 -46.03 89.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 31.1 mt-10 -59.28 -46.48 88.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.6 -40.58 92.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.774 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.3 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 67.6 mm-40 -62.97 -36.53 83.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.689 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 54.6 mtpt -61.6 -44.61 96.69 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -62.06 -39.38 92.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -61.12 -42.39 98.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.24 -41.24 94.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.499 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.0 mt -64.8 -45.04 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.67 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -72.06 -36.2 69.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.6 -31.59 70.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -59.88 -32.13 70.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.675 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.01 162.52 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 64.7 12.53 7.67 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.16 0.584 . . . . 0.0 111.481 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.34 116.09 28.31 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.396 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 125.98 25.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.06 -27.37 68.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -59.19 -42.39 90.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.189 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.51 -40.64 73.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.7 99.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.4 -43.28 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.97 -45.4 89.26 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.804 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -73.84 -39.97 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.556 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.08 -44.65 96.96 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.778 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 18.6 t70 -61.76 -40.84 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.608 0.242 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.19 -39.79 94.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -66.97 -43.42 83.1 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.516 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 87.3 t -60.93 -39.37 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 80.3 mm-40 -62.74 -35.41 79.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.182 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -66.19 -39.75 89.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.1 -43.52 78.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.397 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 14.1 mm100 -62.98 -45.04 94.28 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.208 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 74' ' ' ARG . 3.3 tpm_? -59.87 -43.13 94.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.195 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 79' ' ' ILE . 74.9 t80 -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -64.26 -42.72 96.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.52 -39.76 89.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.394 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.42 90.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 75' ' ' PHE . 64.0 mt -68.46 -43.35 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.314 0.578 . . . . 0.0 109.668 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.51 -37.16 84.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.335 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -13.33 57.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.042 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.66 30.92 65.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.959 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.21 97.04 7.18 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.825 0.345 . . . . 0.0 110.707 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 17.0 pttp -68.43 -25.42 65.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.317 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -48.63 78.95 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.552 0.215 . . . . 0.0 111.161 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.546 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 12.1 p -70.99 -36.19 72.39 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.583 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 84' ' ' LYS . 84.7 mt -59.49 -44.28 93.11 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 84.9 mt-10 -58.32 -45.57 87.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.28 -40.11 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.841 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 86' ' ' SER . 91.9 mt -63.11 -36.2 82.79 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.626 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.52 -37.04 74.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.716 0.294 . . . . 0.0 111.419 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.85 -45.44 67.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.2 -36.11 74.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.67 -45.5 93.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.811 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.7 tt0 -59.13 -41.18 87.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.818 0.342 . . . . 0.0 110.79 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -63.8 -36.13 82.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.46 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -61.69 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 13' ' ' LEU . 3.4 mm? -63.32 -37.27 86.61 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.948 177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 74.4 mm-40 -64.49 -41.81 96.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.19 -44.71 95.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.406 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 97' ' ' ALA . 80.5 mt -61.9 -45.79 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.351 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.482 ' HE ' ' CD ' ' A' ' 106' ' ' GLU . 53.6 ttt180 -60.86 -36.4 79.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.8 mt-10 -60.41 -40.62 91.63 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.704 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.51 -37.58 80.17 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.011 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.07 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.015 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.545 ' OE2' ' HG3' ' A' ' 7' ' ' ARG . 57.1 mt-10 -91.25 -22.45 20.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.736 0.303 . . . . 0.0 111.548 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -121.89 98.25 5.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.969 0.414 . . . . 0.0 110.862 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -77.11 116.33 17.66 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.374 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.521 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 CA--C 1.518 -0.262 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.8 9.98 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.074 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' A' ' 6' ' ' LEU . 65.0 m-85 -107.91 102.05 11.27 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.642 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 10.6 tp10 -63.71 -48.61 76.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -30.47 63.13 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.322 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 3' ' ' PHE . 6.7 tt -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -66.84 -42.04 86.42 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 76.2 mm-40 -64.34 -44.27 92.02 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.674 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -60.73 -42.63 97.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.796 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.26 -40.68 92.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 15.1 t70 -65.23 -46.34 81.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.9 mt-10 -65.06 -35.26 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.35 -43.83 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.1 -38.38 80.73 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.306 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 98.6 mt-30 -60.08 -37.86 81.16 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.38 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.369 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -68.55 -38.92 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -63.72 -38.48 91.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.844 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' NH1' HG22 ' A' ' 35' ' ' VAL . 12.4 ttm180 -66.82 -38.41 86.4 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 tp -61.48 -39.19 90.01 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.03 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -60.75 -41.36 95.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.196 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.2 mm-40 -63.85 -43.75 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.093 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.439 ' CD1' HG21 ' A' ' 35' ' ' VAL . 72.1 mt -62.36 -40.73 89.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.295 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.39 -39.69 88.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.74 -34.08 77.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.321 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 66.7 mmtt -89.49 -17.11 29.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 27.2 67.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.378 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.3 t70 -86.09 93.3 8.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.171 0.51 . . . . 0.0 110.889 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.75 -29.31 69.81 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -66.38 -50.63 62.83 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 p -71.77 -30.2 65.31 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.07 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -58.89 -46.49 87.73 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.57 -39.99 93.14 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.04 0.447 . . . . 0.0 110.837 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.34 -45.12 77.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.83 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG22 ' NH1' ' A' ' 19' ' ' ARG . 67.5 t -64.06 -35.11 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.8 mt -60.59 -36.37 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 177.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -40.9 93.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.669 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.9 mt-10 -62.67 -45.63 91.92 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.522 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.5 mt -59.62 -39.98 80.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.342 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.76 -45.21 94.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.564 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.54 -43.64 89.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.931 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 92.0 mt -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.2 mt -60.5 -40.94 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -64.95 -47.62 76.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.72 -44.38 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' HH22 ' A' ' 53' ' ' ARG . 53.2 t-80 -62.42 -36.99 84.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.351 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 47' ' ' ARG . 11.8 ttp180 -62.61 -43.45 98.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.708 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -66.39 -39.43 89.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 0.0 110.327 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.28 -33.8 76.06 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.057 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.38 -36.49 76.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 26.2 t0 -64.46 -39.27 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.08 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -74.68 -33.15 62.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.758 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.491 HH22 ' CD2' ' A' ' 46' ' ' HIS . 89.0 mtm180 -75.41 -37.82 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.696 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -140.83 -78.48 0.28 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.66 140.53 0.35 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.108 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -160.54 90.83 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.002 0.429 . . . . 0.0 111.367 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.93 149.44 28.21 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.65 0.262 . . . . 0.0 111.0 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 m -60.51 -42.34 96.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.05 -44.92 60.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.49 96.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.84 86.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.666 0.27 . . . . 0.0 111.693 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -72.56 -44.91 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -74.92 -33.88 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.11 0.481 . . . . 0.0 110.77 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -34.32 87.72 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.825 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.94 -40.76 90.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.659 0.266 . . . . 0.0 110.808 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.42 -38.13 71.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 71' ' ' LEU . 73.3 t-105 -65.98 -45.94 79.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.29 -38.07 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.26 -29.6 70.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.729 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' TRP . 50.3 tp -61.95 -40.46 95.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -67.53 -37.99 83.55 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.116 0.484 . . . . 0.0 109.982 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.61 -41.78 92.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.117 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -65.91 -36.71 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.665 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.8 t80 -60.26 -46.36 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.519 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -61.69 -42.72 99.32 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.4 -44.94 95.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.718 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.28 93.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -65.17 -45.33 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.054 177.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -36.85 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.092 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -77.94 -14.86 59.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.574 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.37 31.31 71.34 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.561 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.8 t70 -94.39 96.64 9.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.023 0.44 . . . . 0.0 110.328 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HD3' HD12 ' A' ' 87' ' ' LEU . 75.6 mmtt -66.39 -28.66 68.8 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.886 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.42 -49.31 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.446 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 20.2 m -65.9 -34.76 78.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.19 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.5 mt -59.64 -48.28 82.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.794 0.331 . . . . 0.0 110.714 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.22 -44.78 94.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.38 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.87 -39.2 93.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.611 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.8 mt -65.06 -36.86 85.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.48 -35.84 82.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.71 -44.86 88.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.96 -42.95 99.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.992 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 61.6 tp -61.48 -43.49 98.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.78 -46.91 86.44 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.596 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.01 -41.14 87.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.904 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.18 -42.92 99.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.8 mt -63.15 -36.99 85.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 110.397 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 44.7 tt0 -63.04 -45.23 93.21 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.555 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.2 mt -60.6 -44.23 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 39.6 mtm180 -61.63 -43.94 97.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.181 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 9.6 mm-40 -61.08 -41.26 96.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.84 -35.1 67.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.98 0.419 . . . . 0.0 110.656 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB1' ' NH1' ' A' ' 53' ' ' ARG . . . -68.03 -28.52 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.075 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.47 -2.02 58.24 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.583 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 71.44 -65.81 0.33 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.884 0.874 . . . . 0.0 110.698 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -160.42 106.49 1.51 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.314 -0.95 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.289 179.711 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 107' ' ' LYS . 29.7 t . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -136.73 127.4 27.12 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.94 0.4 . . . . 0.0 110.416 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -167.54 51.52 0.06 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 5.3 mm-40 -59.14 -38.56 79.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.605 -1.18 . . . . 0.0 113.099 -171.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.76 -42.47 58.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.73 -29.5 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.222 0.534 . . . . 0.0 109.619 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -61.59 -38.91 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 67.6 mm-40 -67.79 -45.39 74.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 86.8 m -70.52 -41.31 72.74 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.563 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 -45.17 96.39 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 t70 -67.51 -35.79 79.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.015 0.436 . . . . 0.0 110.059 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.48 -39.25 83.12 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 9' ' ' THR . 51.2 mt -62.53 -46.25 89.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.5 t -60.2 -40.36 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 74.9 mm-40 -62.16 -43.49 98.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.963 0.411 . . . . 0.0 110.276 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.82 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.896 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 94' ' ' LEU . 29.0 m-85 -66.28 -37.81 86.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.332 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 25.8 mt-30 -60.96 -43.28 98.99 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 22' ' ' GLU . 26.9 mmt180 -65.22 -38.93 91.97 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.47 -43.67 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.305 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -65.46 -38.7 90.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 51.5 mt-10 -60.48 -44.14 96.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.8 mt -65.08 -39.25 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.467 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -64.7 -46.73 81.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.59 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.129 0.49 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 28' ' ' ASP . 71.5 tttt -77.77 -17.88 57.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.162 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 26.31 59.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.768 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 7.6 t70 -98.29 92.41 5.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.25 -40.34 74.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.58 -46.61 87.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.3 m -70.84 -33.25 70.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.407 178.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.9 tp -60.95 -46.43 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.774 -177.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -40.11 93.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.405 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.96 -39.68 83.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.631 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 31' ' ' SER . 90.7 t -62.51 -32.99 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.555 177.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.1 mt -59.28 -36.5 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.183 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 27.3 mt-10 -67.35 -36.41 81.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.124 0.488 . . . . 0.0 109.959 177.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.8 mt-10 -64.3 -39.99 95.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.7 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.3 mm -59.53 -38.0 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.296 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' A' ' 37' ' ' GLU . 43.7 mt-10 -58.28 -45.76 87.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -65.26 -40.73 94.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.3 mt -61.33 -46.34 96.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.067 0.461 . . . . 0.0 110.175 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 52.8 tt0 -67.64 -36.71 81.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.212 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.13 -42.49 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.606 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.1 -38.66 89.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.133 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -67.34 -32.4 73.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.0 mt-30 -61.38 -44.17 97.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.58 -34.64 76.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.37 -40.34 97.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.92 -39.59 72.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -66.02 -41.42 90.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.309 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -75.54 -38.56 59.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.176 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 62.2 90.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.469 0.652 . . . . 0.0 110.007 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -110.0 98.52 7.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.292 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.54 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.711 0.805 . . . . 0.0 112.977 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 59' ' ' THR . . . -153.61 129.97 10.55 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.836 0.351 . . . . 0.0 111.658 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.05 -33.5 75.58 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.097 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.434 HG22 ' HB1' ' A' ' 57' ' ' ALA . 11.3 t -58.15 -28.26 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.716 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.38 -44.67 62.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.17 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.61 73.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.158 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.67 -43.11 66.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.885 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -68.98 -44.52 72.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.734 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -71.53 -30.23 65.68 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.38 -36.07 92.58 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.904 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.38 -40.96 96.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.215 0.531 . . . . 0.0 109.837 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -67.51 -42.46 82.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.043 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.54 -49.59 68.35 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.194 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' GLY . 95.8 t -61.69 -38.87 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.29 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.79 -43.68 98.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.227 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -63.34 -41.7 98.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 57.5 mt-30 -62.33 -38.91 91.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.008 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -59.34 -40.18 85.55 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 110.426 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.51 -42.58 98.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.121 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -65.92 -42.82 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 58.4 mm-40 -61.02 -42.89 99.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.29 94.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 36' ' ' LEU . 95.2 mt -66.06 -42.32 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.043 0.449 . . . . 0.0 110.35 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.08 -33.05 74.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 66.1 mttm -89.09 -5.72 57.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.82 30.6 70.32 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.748 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -94.79 96.65 9.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.01 0.433 . . . . 0.0 109.838 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.56 -33.54 71.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.855 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.24 -45.25 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.746 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.523 ' O ' HD23 ' A' ' 90' ' ' LEU . 31.6 m -63.03 -34.26 77.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.0 mt -59.08 -43.68 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -42.53 95.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.039 0.447 . . . . 0.0 110.033 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -62.77 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.275 0.56 . . . . 0.0 109.7 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 86' ' ' SER . 3.0 mm? -63.13 -45.57 91.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.806 177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 97.0 mt -61.67 -35.5 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.22 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.96 -44.86 88.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.11 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.69 -37.58 88.07 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.062 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.414 HD21 ' CD2' ' A' ' 17' ' ' PHE . 53.5 tp -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.941 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.59 -45.51 92.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.208 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.11 -37.3 86.96 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.18 86.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.325 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.17 -36.42 83.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 5.6 tp-100 -63.13 -44.11 96.49 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.832 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.39 -46.43 90.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.752 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.41 -42.25 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.631 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 6.4 tpt180 -60.89 -41.61 96.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 10.8 mm-40 -59.75 -44.87 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.61 -33.78 64.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.318 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.22 61.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 58.4 mm-40 -73.32 -24.46 60.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.106 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HB2' ' OG ' ' A' ' 1' ' ' SER . 35.3 mmtp 63.03 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.692 0.62 . . . . 0.0 111.722 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -96.85 9.6 41.39 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.739 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.891 178.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -158.65 -49.17 0.06 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.322 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -80.2 -25.06 39.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.5 -18.11 64.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.785 0.326 . . . . 0.0 111.083 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -62.68 -41.97 99.38 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.19 -37.56 66.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.837 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -63.08 -34.29 77.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.387 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 53.7 tt0 -61.06 -44.51 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.393 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -65.76 -38.91 90.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.72 -39.7 95.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.557 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.23 -38.54 91.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 78.9 mm-40 -60.62 -40.68 92.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.84 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.95 -43.32 98.87 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.489 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' HA ' HD13 ' A' ' 98' ' ' LEU . 58.0 t -58.95 -45.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.246 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.26 -46.09 85.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.54 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.56 95.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 98' ' ' LEU . 31.9 m-85 -67.7 -39.45 84.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.51 -38.14 86.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 23' ' ' ILE . 28.9 ttt180 -62.4 -41.81 98.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.304 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.56 -44.95 95.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -62.66 -43.81 97.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.743 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 40.2 mt-10 -61.3 -43.2 99.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 28' ' ' ASP . 94.7 mt -65.18 -40.86 90.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.994 0.426 . . . . 0.0 110.292 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -60.72 -41.71 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.767 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.92 -31.5 72.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.821 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 62.6 mtpt -78.21 -13.04 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.16 27.01 64.94 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.507 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 10.1 t70 -97.38 92.62 6.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.185 0.517 . . . . 0.0 110.143 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.558 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.8 -50.89 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.307 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.5 m -71.71 -30.17 65.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.957 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -59.28 -47.17 86.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.723 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.64 -37.82 87.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.985 0.421 . . . . 0.0 110.691 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 mm100 -62.12 -40.41 95.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.507 ' O ' HG12 ' A' ' 39' ' ' ILE . 51.3 t -69.28 -36.18 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.0 mt -60.3 -40.8 91.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.39 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.401 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 52.7 mt-10 -62.14 -42.42 99.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.315 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 35' ' ' VAL . 43.7 mm -59.69 -40.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.613 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 47.1 mt-10 -60.56 -40.65 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -178.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.7 tp10 -70.0 -42.3 73.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.176 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.7 mt -61.36 -43.55 98.68 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 89.9 mt -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -62.15 -40.75 97.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.009 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 61.0 mtpt -64.25 -44.02 93.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.357 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 78.8 mtp180 -61.33 -41.78 97.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.268 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.69 -44.03 97.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.08 -42.02 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.341 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -66.41 -43.27 86.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.078 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.73 -31.25 71.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 110.728 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -78.91 -25.95 43.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -61.02 -38.67 86.89 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.984 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -152.85 132.12 12.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.042 0.449 . . . . 0.0 110.726 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.12 163.22 14.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.03 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 67.44 23.36 9.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.634 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.77 25.08 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.953 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.45 -38.64 84.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.479 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 t -64.51 -39.35 93.63 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.738 0.304 . . . . 0.0 111.449 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -71.65 -39.64 70.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.212 0.53 . . . . 0.0 109.878 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.86 76.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.297 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.76 71.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.721 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.66 -44.34 96.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -74.74 -43.16 56.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -46.7 66.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.234 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.778 0.289 . . . . 0.0 111.549 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.92 -43.98 86.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -68.8 -47.93 64.88 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.472 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 72.6 t -61.26 -44.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.639 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 52.5 tt0 -65.88 -40.89 92.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.447 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.21 -40.26 95.5 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.011 0.434 . . . . 0.0 109.952 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -65.97 -40.68 91.47 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.784 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.48 -35.54 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.314 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 44.3 mmm-85 -63.78 -35.6 81.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 79' ' ' ILE . 73.5 t80 -61.32 -44.44 97.19 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.414 HH12 ' CD ' ' A' ' 40' ' ' GLU . 28.2 ttm180 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.011 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.88 -43.7 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.99 81.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.399 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 75' ' ' PHE . 37.2 mm -65.97 -46.63 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.323 0.582 . . . . 0.0 109.865 176.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.98 -36.9 85.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.367 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -87.21 -13.61 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 30.62 61.61 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.412 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.0 t70 -88.31 87.68 7.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.245 0.545 . . . . 0.0 109.853 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' A' ' 87' ' ' LEU . 65.6 tttp -66.63 -26.17 66.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.864 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.05 -48.75 80.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.1 m -71.48 -34.61 70.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.707 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.8 mt -59.5 -45.01 92.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.564 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 68.5 mm-40 -57.24 -44.11 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 0.0 110.775 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -69.6 -47.29 64.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.123 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 86' ' ' SER . 96.1 mt -62.21 -36.8 83.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.094 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 86.1 mt -58.9 -42.34 89.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.36 -44.95 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.22 -44.35 92.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -63.61 -44.27 94.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.16 -39.63 94.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.93 -42.12 85.87 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.05 -36.93 83.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.5 mt -62.15 -35.19 78.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.21 -44.38 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 66.2 mttm -64.83 -40.55 95.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 97' ' ' ALA . 75.9 mt -60.01 -43.5 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.316 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -62.5 -39.4 93.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.31 -42.82 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -63.94 -29.1 70.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.94 -15.01 63.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -91.68 -2.65 56.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -95.16 114.79 26.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.82 97.34 7.95 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.841 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -178.2 -47.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -87.19 64.54 8.4 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.108 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.16 -18.71 64.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.37 -175.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -63.91 -41.83 97.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.14 -35.82 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.988 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HD3' ' OE2' ' A' ' 106' ' ' GLU . 12.4 mmm180 -62.63 -45.21 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.63 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.34 -40.86 73.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.4 m -61.02 -39.7 90.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.015 0.436 . . . . 0.0 110.12 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.9 -40.29 97.13 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.27 176.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 28.9 t70 -63.17 -41.56 99.25 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.511 0.196 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.33 -42.02 90.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.91 -48.3 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.471 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' GLY . 84.6 t -58.96 -44.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.61 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 12.9 mm100 -61.59 -43.79 98.2 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.884 0.374 . . . . 0.0 110.635 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.75 87.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.659 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.4 m-85 -63.41 -37.44 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.146 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 98.4 mt-30 -61.0 -44.57 97.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.306 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 23' ' ' ILE . 61.6 mtm-85 -69.94 -35.25 74.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.396 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.3 -38.59 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.562 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' HG2' HD13 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.53 -45.93 87.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.569 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 49.3 mt-10 -69.7 -45.51 68.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.505 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.1 mt -59.62 -44.75 94.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.992 0.425 . . . . 0.0 110.382 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 87' ' ' LEU . 22.4 t80 -64.11 -45.62 87.8 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.227 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.51 -32.89 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 34.1 mmtp -78.28 -8.78 58.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.627 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 26.88 70.77 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.951 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.84 91.9 8.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.59 -26.28 64.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.15 -51.38 69.97 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.0 m -74.51 -35.11 63.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 28.0 tp -60.41 -47.43 86.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.458 -173.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.82 -43.68 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 111.741 -178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -68.72 -40.05 80.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.75 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 31' ' ' SER . 86.8 t -65.79 -36.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.365 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.1 mt -59.85 -40.56 88.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.033 0.444 . . . . 0.0 110.296 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.9 -38.73 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.354 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.9 mm-40 -60.69 -43.86 97.25 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' ILE . 92.3 mt -61.34 -38.26 79.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.25 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.566 ' HG2' HE22 ' A' ' 44' ' ' GLN . 26.2 tt0 -61.96 -42.56 99.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.64 -37.8 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.578 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 50.7 mt -67.51 -39.54 85.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.691 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -61.04 -35.49 65.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.795 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.566 HE22 ' HG2' ' A' ' 40' ' ' GLU . 1.1 mp0 -60.8 -35.65 77.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.899 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.01 -44.84 96.82 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -60.64 -44.66 96.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.07 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 32.8 mtt180 -60.51 -42.33 96.17 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.124 0.488 . . . . 0.0 110.15 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -69.07 -44.31 72.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.568 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.99 -37.72 84.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.279 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -63.33 -45.2 92.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 8.4 t70 -65.44 -40.52 93.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.525 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -70.81 -42.93 69.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.251 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -62.85 -37.62 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 0.0 111.545 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 25.2 mt-30 -81.31 -74.9 0.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.914 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 5.8 tp10 176.58 -68.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.08 93.49 2.45 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.45 ' HB1' ' CG ' ' A' ' 60' ' ' GLU . . . -135.39 29.02 3.33 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.882 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.4 m -72.19 -43.51 64.42 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.625 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' CG ' ' HB1' ' A' ' 57' ' ' ALA . 9.5 pt-20 -73.83 -31.35 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.058 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.15 86.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.64 91.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.687 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -66.01 -36.57 83.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -63.49 -43.01 98.47 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -69.31 -40.94 80.34 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.487 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 15.7 t70 -61.56 -41.52 97.49 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.751 0.42 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -65.03 -38.25 90.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.936 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -68.27 -36.69 79.78 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.672 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -62.22 -37.9 79.71 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.853 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 78.4 mt-30 -62.55 -31.83 72.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.81 -41.87 78.05 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.11 -34.07 77.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.301 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -60.02 -44.9 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.56 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.39 -44.6 92.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.864 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.5 t80 -64.17 -42.54 96.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.719 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 41.7 mt-10 -65.94 -38.81 89.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -35.85 78.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.745 0.307 . . . . 0.0 110.457 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 73.9 mt -65.69 -39.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.01 -36.99 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 58.5 mmtt -82.56 -12.99 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.535 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.98 73.31 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.243 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -96.85 96.37 8.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 110.53 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.0 tttp -68.9 -27.11 65.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.346 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.67 -49.26 78.43 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.37 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 29.7 t -69.49 -34.97 75.1 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 84' ' ' LYS . 67.6 mt -61.66 -46.08 91.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.389 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 20.7 mm-40 -61.35 -42.17 98.26 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.16 0.505 . . . . 0.0 109.783 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -62.16 -42.75 99.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.549 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.5 mt -60.82 -36.65 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD13 ' HG2' ' A' ' 21' ' ' ARG . 86.8 mt -64.52 -37.68 88.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.619 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.16 -45.03 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.22 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 109.626 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.659 HD21 ' CD2' ' A' ' 17' ' ' PHE . 60.3 tp -59.82 -45.38 92.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.38 -39.69 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.033 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -61.72 -39.93 93.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.927 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.88 -37.74 84.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.657 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 91.6 mt -62.89 -38.87 92.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.087 0.47 . . . . 0.0 110.176 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -62.73 -44.52 95.99 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.43 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -61.73 -41.73 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 97' ' ' ALA . 73.6 mt -63.21 -47.4 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.394 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 56.5 mtm180 -62.34 -46.64 87.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.72 -176.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.1 mt-10 -65.55 -44.12 87.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.822 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.17 -41.67 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.43 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.487 ' OE2' ' HD3' ' A' ' 7' ' ' ARG . 15.8 tt0 -91.75 -24.52 19.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 111.278 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -125.21 92.89 3.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.358 0.599 . . . . 0.0 111.804 -175.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -91.84 -21.6 20.55 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.933 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.244 0.775 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.421 179.398 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.7 147.68 22.67 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.483 ' CE1' HD13 ' A' ' 6' ' ' LEU . 21.0 t80 64.57 18.38 11.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.34 -47.59 85.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.142 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.39 -38.89 71.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.786 0.327 . . . . 0.0 111.756 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD13 ' CE1' ' A' ' 3' ' ' PHE . 1.3 tt -72.48 -32.77 66.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.049 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.61 -44.53 96.08 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.96 -38.57 86.34 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.232 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.5 m -60.73 -47.01 88.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.692 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.23 -40.29 92.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.875 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.32 -43.07 92.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 111.083 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.59 -34.6 75.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.732 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.43 -41.7 90.16 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.4 t -63.35 -45.67 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.821 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.64 -38.2 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.741 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.2 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.58 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD2' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -67.39 -36.88 82.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.6 mm-40 -60.67 -42.71 97.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 19' ' ' ARG . 11.6 mmt180 -66.68 -35.29 79.78 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.352 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.55 -39.0 89.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.442 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 -62.54 -39.94 95.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.055 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.27 -46.46 90.28 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.98 0.419 . . . . 0.0 110.424 177.086 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.69 -44.42 99.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -61.83 -40.33 94.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.47 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.47 -34.58 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 29.0 mtpp -77.7 -16.82 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.47 26.11 66.41 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.408 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.73 92.6 9.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.6 -35.49 78.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.819 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.61 -51.13 71.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.293 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.1 m -72.48 -35.12 68.13 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 26.4 tp -61.36 -48.27 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.505 -175.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.46 -42.16 88.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.367 -0.379 . . . . 0.0 112.007 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -66.37 -41.71 89.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.945 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 31' ' ' SER . 69.0 t -62.29 -32.38 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.389 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.6 mt -58.3 -39.6 79.8 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.38 -42.28 83.63 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.359 0.6 . . . . 0.0 109.921 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.67 -40.65 97.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.384 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.8 mt -61.32 -40.0 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 178.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.9 -37.75 88.68 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.951 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -42.13 90.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.25 0.548 . . . . 0.0 109.622 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.07 -40.42 82.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.631 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.1 mt -61.09 -41.77 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.249 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.34 -37.01 84.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.006 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -63.41 -43.72 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.894 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.05 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.629 ' NH2' HE22 ' A' ' 64' ' ' GLN . 3.8 mmp_? -61.59 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.26 -45.08 70.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 98.1 mt -73.92 -50.56 19.56 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -74.04 -49.06 25.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.3 m-20 -66.95 -24.66 66.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.71 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.67 -41.69 95.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' LEU . 10.7 mpt_? -75.44 -31.24 60.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.478 -177.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 67.84 -77.34 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.364 0.665 . . . . 0.0 111.625 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 71.04 -55.98 0.64 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.204 1.002 . . . . 0.0 111.383 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.54 -169.47 1.85 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.436 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.8 150.87 47.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.471 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.86 -37.52 84.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.394 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.5 m -66.05 -38.3 88.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.89 -40.37 72.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 109.815 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.96 68.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -64.68 -39.87 94.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.629 HE22 ' NH2' ' A' ' 47' ' ' ARG . 4.9 pp0? -63.16 -35.84 81.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.554 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.602 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.76 -41.72 63.01 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.34 -41.46 93.64 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.212 0.605 . . . . 0.0 111.717 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.38 -38.41 87.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -68.0 -39.92 83.11 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.9 t -60.84 -38.75 79.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.43 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.23 -43.09 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.158 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.59 -43.76 84.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.07 -43.28 99.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -62.68 -45.49 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.3 -38.04 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.5 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.627 ' HA ' HD13 ' A' ' 90' ' ' LEU . 70.1 t80 -66.44 -46.87 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.271 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.567 ' NH1' ' HA ' ' A' ' 77' ' ' GLU . 4.5 tmm_? -63.62 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.08 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 6.5 tp10 -60.69 -46.12 91.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.881 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.57 84.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.6 mt -65.95 -44.68 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.191 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -77.76 -14.82 59.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.29 31.59 71.71 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.678 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.9 t70 -100.92 96.9 7.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.145 0.498 . . . . 0.0 111.299 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -67.21 -25.18 65.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.198 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.4 -49.08 78.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -71.16 -36.86 72.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.557 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 92.6 mt -59.4 -45.13 92.35 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.421 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.25 -41.15 96.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.58 -40.99 72.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.416 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.627 HD13 ' HA ' ' A' ' 75' ' ' PHE . 39.8 mt -60.64 -34.78 74.78 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.154 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.8 mt -58.02 -39.67 78.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.933 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.79 -44.52 66.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.1 -40.7 98.41 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.009 0.433 . . . . 0.0 110.4 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 54.7 tp -63.99 -45.16 90.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.1 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -56.25 -47.86 77.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.439 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -66.98 -39.15 87.12 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -63.21 -41.08 99.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.7 mt -62.96 -44.08 97.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.663 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 77.1 mt-30 -65.81 -40.18 91.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.777 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 85.1 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.7 mt -62.35 -46.19 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.684 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 57.5 ttp180 -63.59 -40.17 96.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.304 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 7.2 tp10 -61.18 -38.48 86.68 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 123.185 0.594 . . . . 0.0 110.336 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 93.5 mt -70.05 -41.32 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.56 -28.14 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.9 mt-10 -83.74 -2.41 56.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.2 tttp 65.95 73.3 0.38 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 111.198 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -84.04 -10.37 57.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.122 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.126 -174.529 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.702 0.287 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -97.59 -35.07 10.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.483 -178.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 19.3 t80 -73.17 -33.75 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.215 0.531 . . . . 0.0 109.764 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.14 -36.1 82.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.696 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -74.3 -31.14 62.38 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.514 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 3' ' ' PHE . 47.8 tp -61.71 -34.92 76.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.259 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -61.75 -45.14 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.495 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.74 -39.22 73.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -64.2 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.498 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.61 95.53 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.116 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.259 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.95 -37.19 81.51 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.771 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.96 -44.35 94.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.207 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 62.8 t -66.51 -48.08 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.541 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -68.27 -38.75 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.816 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.0 93.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -67.4 -38.28 84.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.493 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 78.4 mm-40 -61.52 -40.76 95.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 19' ' ' ARG . 7.8 ttp180 -61.99 -37.22 84.01 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.72 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -65.28 -39.11 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 49.6 mt-10 -65.66 -45.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 35' ' ' VAL . 66.6 mt -66.41 -38.45 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.006 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.99 -39.63 86.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.006 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.07 -33.85 76.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.771 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 65.4 mttm -79.82 -18.25 51.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.24 26.97 64.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.313 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' HB3' HG23 ' A' ' 23' ' ' ILE . 12.6 t70 -88.12 94.77 9.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.049 0.452 . . . . 0.0 110.584 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.1 -43.47 82.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.814 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.33 -51.4 70.11 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 111.811 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.9 m -71.35 -32.56 68.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.69 -45.62 93.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.676 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.32 -40.34 97.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.49 -47.06 87.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 23' ' ' ILE . 50.8 t -62.77 -35.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.908 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.93 -42.78 94.7 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.605 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 48.9 mt-10 -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.633 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.645 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.4 mt -64.43 -38.88 83.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.537 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.87 -39.26 90.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.446 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -62.3 -43.97 97.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.8 mt -63.17 -40.19 96.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 39' ' ' ILE . 69.5 mt -60.35 -41.88 88.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.46 -46.77 72.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.356 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 63.3 mttp -61.87 -44.16 97.38 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.605 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -58.18 -47.78 82.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -68.13 -43.49 78.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -69.05 -40.93 78.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.5 mt -61.59 -41.69 97.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -73.88 -44.88 53.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.685 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.0 -36.86 84.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.407 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -68.7 -43.9 75.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.423 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -76.06 -41.15 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 62.01 122.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.392 0.615 . . . . 0.0 111.998 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -134.45 -54.96 0.84 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.39 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.59 0.66 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.109 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.87 33.96 22.61 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -61.54 -42.27 98.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.953 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 m -65.28 -42.18 93.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.1 -43.94 70.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.64 91.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 5.5 tmtm? -70.0 -37.16 75.6 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -63.17 -41.31 99.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.79 -35.13 89.21 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.24 -40.92 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.043 0.537 . . . . 0.0 110.733 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -66.82 -35.82 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.166 0.508 . . . . 0.0 109.859 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.451 ' HE1' HG12 ' A' ' 43' ' ' ILE . 50.9 t-105 -63.42 -36.63 84.35 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.084 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 65' ' ' GLY . 65.3 t -62.55 -39.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.979 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.72 -39.16 93.2 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.09 -45.97 91.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.847 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -69.14 -39.11 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.648 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 62.4 tt0 -63.83 -43.22 96.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.124 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -61.72 -38.4 87.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 79' ' ' ILE . 75.5 t80 -61.23 -42.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.637 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -60.19 -45.11 94.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.76 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 52.1 mt-10 -62.63 -39.59 94.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.109 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.2 90.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 75' ' ' PHE . 72.0 mt -67.21 -40.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.245 0.545 . . . . 0.0 109.869 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.1 -37.58 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.281 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -84.28 -13.5 52.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.855 0.36 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.61 59.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.5 t70 -94.1 94.83 8.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.189 0.518 . . . . 0.0 110.283 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.09 -25.31 62.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.576 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.57 -48.28 82.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.3 m -65.64 -37.92 87.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 86.4 mt -59.91 -44.79 94.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.199 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -58.39 -43.15 88.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.595 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.92 -46.55 65.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 94' ' ' LEU . 95.3 mt -61.44 -36.48 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.478 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 81.9 mt -57.26 -39.42 75.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.624 0.25 . . . . 0.0 111.431 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.99 -42.57 69.46 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.728 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.37 -42.39 83.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.405 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 90' ' ' LEU . 10.6 mp -62.15 -38.7 90.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.966 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.84 -40.46 84.29 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.987 0.423 . . . . 0.0 111.017 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.34 -40.22 89.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.654 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.55 -37.77 85.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.52 -34.0 76.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.581 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.503 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 62.7 tt0 -63.81 -45.49 89.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.84 -42.29 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.486 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 97' ' ' ALA . 83.1 mt -61.74 -44.97 99.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.736 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttp-105 -63.01 -37.04 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.915 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 20.0 mm-40 -61.46 -39.3 90.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.372 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.78 -40.78 75.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.485 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.44 66.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 65.43 87.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.656 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -114.19 -5.12 13.03 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.247 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' OE1' ' HD2' ' A' ' 102' ' ' ARG . 40.6 mt-10 -81.33 140.21 34.92 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.38 97.3 3.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.19 -29.17 67.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.38 -42.36 59.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.165 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.01 -35.53 66.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.82 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -70.62 -33.21 70.76 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.976 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 17.7 tm0? -60.05 -37.33 79.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.463 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m -61.53 -44.38 97.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.88 -38.38 89.08 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.914 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 20.5 t70 -59.03 -38.43 79.29 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.008 0.523 . . . . 0.0 110.793 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 64.3 mm-40 -59.72 -41.22 90.37 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.67 -47.34 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.489 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.38 -46.08 89.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.148 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 15.0 mm100 -62.38 -40.57 96.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.752 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.01 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.572 ' CD2' HD21 ' A' ' 94' ' ' LEU . 39.4 m-85 -67.67 -38.95 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 49.5 tt0 -61.52 -43.62 98.54 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -66.67 -38.74 87.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.099 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.44 -42.85 96.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.767 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 91' ' ' LEU . 49.4 ttt180 -63.75 -41.68 97.97 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.29 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 61.9 mt-10 -62.41 -45.45 93.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.617 178.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.12 -41.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.672 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -64.49 -39.84 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.252 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.64 -34.41 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.332 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.45 -17.44 56.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.293 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.97 72.31 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.988 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.02 93.64 9.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 110.547 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.8 -26.95 68.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.799 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.19 -51.38 66.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -72.29 -32.77 66.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.7 tp -60.63 -45.7 93.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.512 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.62 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.959 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 78.2 mt-30 -63.63 -46.56 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.668 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -62.78 -35.39 70.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.198 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -59.96 -36.63 77.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.941 0.4 . . . . 0.0 110.281 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.53 -37.65 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.105 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 34' ' ' GLN . 5.6 mm-40 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.468 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 35' ' ' VAL . 91.6 mt -59.71 -37.28 70.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.294 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.64 -40.38 83.23 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.1 -43.42 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.74 -42.24 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 39' ' ' ILE . 92.1 mt -61.01 -45.09 99.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 48.3 tp60 -63.63 -43.83 95.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.881 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -62.64 -37.98 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.22 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -59.83 -41.59 91.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.252 0.549 . . . . 0.0 109.527 177.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 71.4 mtp180 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.681 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 28.4 mt-30 -61.37 -43.02 99.58 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.704 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.0 -44.87 95.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.578 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -73.92 -37.52 64.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.304 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.39 -39.64 77.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.23 -38.87 71.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.397 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' NH2' ' HG3' ' A' ' 108' ' ' LYS . 46.8 ttp180 -72.92 -25.04 60.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.704 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 72.03 93.25 0.08 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.074 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -94.27 152.41 18.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.774 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.6 25.02 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.433 0.635 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 60' ' ' GLU . . . -134.1 48.18 2.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.361 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.4 -42.81 99.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -66.58 -29.26 69.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 110.642 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HB3' ' HB1' ' A' ' 57' ' ' ALA . 7.7 tp10 -72.05 -45.05 62.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.84 85.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.352 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.12 99.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.672 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -72.39 -35.95 68.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.827 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -63.59 -43.55 96.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.66 -35.72 86.43 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.548 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -61.1 -44.29 97.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -73.86 -33.34 64.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.115 0.483 . . . . 0.0 110.637 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -66.29 -48.4 70.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.835 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.53 -38.64 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.361 . . . . 0.0 110.263 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -61.66 -38.25 87.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.961 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.328 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.35 -41.93 84.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.81 -45.19 94.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.487 . . . . 0.0 109.839 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -59.75 -42.94 94.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.19 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.613 ' HA ' HD13 ' A' ' 90' ' ' LEU . 74.7 t80 -65.12 -44.51 88.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.671 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -64.07 -44.46 92.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.015 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.35 -39.46 94.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.263 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.01 81.6 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 110.579 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.464 HD11 ' CE2' ' A' ' 75' ' ' PHE . 74.0 mt -66.42 -44.97 90.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.916 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.56 -35.22 79.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -76.97 -14.44 59.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.95 27.92 71.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.492 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.65 96.07 7.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.087 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 87' ' ' LEU . 61.9 mttp -71.06 -25.92 62.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.458 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.19 -45.97 91.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -65.87 -37.77 87.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.963 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.62 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.9 mt -60.93 -40.25 92.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.454 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.16 -39.44 86.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.456 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -69.24 -40.89 77.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.613 HD13 ' HA ' ' A' ' 75' ' ' PHE . 14.5 mt -61.02 -37.27 81.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.422 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.5 mt -59.75 -40.51 88.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.988 0.423 . . . . 0.0 110.596 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 36.0 mm-40 -70.01 -44.76 68.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.597 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.56 -34.99 79.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 17' ' ' PHE . 67.4 tp -62.71 -45.13 94.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.968 176.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.45 -41.4 94.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.087 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 94.1 mt-30 -65.66 -37.68 87.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -39.9 89.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.3 mt -63.44 -32.52 73.98 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.19 -42.4 93.64 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.427 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 60.2 mttm -67.18 -42.04 84.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.8 mt -60.24 -45.69 95.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.073 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 23.3 ttp180 -60.6 -46.38 90.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 6.0 mm-40 -60.77 -42.33 97.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.195 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 -41.81 62.88 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.9 -30.65 62.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.52 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 2.1 pt-20 -92.11 -21.74 20.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.642 -0.823 . . . . 0.0 112.029 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.52 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 13.6 mptt -82.54 13.85 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 5.2 tmtm? -76.52 86.92 3.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.322 -176.457 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.805 0.336 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.42 -27.12 64.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.59 -176.765 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -50.44 -50.09 53.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -63.28 -40.05 96.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.48 -37.2 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 98.4 mt -66.2 -41.49 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -63.75 -38.92 92.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.008 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 57.1 tt0 -61.64 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.148 177.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -64.4 -42.94 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.015 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -60.75 -39.96 97.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.18 -36.58 77.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.729 0.411 . . . . 0.0 110.842 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 45.4 mt-10 -64.35 -43.76 93.57 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.25 -46.94 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.965 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.3 t -57.68 -45.69 86.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.919 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -63.02 -43.59 98.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.201 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.39 84.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.57 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 58.7 m-85 -68.37 -41.97 79.84 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 81.0 mt-30 -67.83 -35.78 79.2 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.445 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 23' ' ' ILE . 54.4 ttt180 -64.71 -37.06 86.31 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 38.1 tp -60.54 -40.13 90.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 56.0 ttp180 -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.047 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -61.77 -42.24 98.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.452 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' ARG . 74.8 mt -65.95 -39.89 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.076 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -62.11 -45.32 93.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.966 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.93 -29.72 68.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -77.32 -14.49 59.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.178 0.514 . . . . 0.0 110.122 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.38 63.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.922 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -98.75 93.34 6.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 117.315 0.558 . . . . 0.0 110.423 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.433 ' HA ' HD12 ' A' ' 32' ' ' LEU . 21.4 t70 -63.64 -34.38 77.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.023 -177.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -49.65 76.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.241 -178.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HB2' HG21 ' A' ' 23' ' ' ILE . 21.3 m -67.53 -31.41 71.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.313 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 63.1 mt -60.37 -47.41 86.17 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.437 0.161 . . . . 0.0 111.064 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -63.49 -39.74 95.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -61.8 -46.74 88.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' ILE . 93.0 t -67.1 -36.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.4 mt -61.03 -37.86 84.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.309 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.18 -37.43 80.96 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.1 mm-40 -63.94 -38.89 92.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 176.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.1 mm -59.64 -37.51 71.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.74 -44.67 86.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.63 -42.86 91.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.48 . . . . 0.0 109.846 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.7 mt -64.33 -39.97 94.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.06 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 39' ' ' ILE . 68.7 mt -59.87 -46.15 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.86 -35.87 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.516 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.05 -45.76 87.38 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -64.07 -43.27 95.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.813 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -60.89 -43.08 98.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.146 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -68.43 -43.88 76.18 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.353 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.02 -38.2 87.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.885 0.374 . . . . 0.0 111.05 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 20.1 t80 -71.31 -34.15 70.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.03 -40.74 52.78 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.567 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -64.46 -21.83 66.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 109.833 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 5.1 ttp85 -66.18 -38.05 87.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.422 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -165.25 93.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.26 -23.22 63.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.599 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.33 -12.21 61.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.127 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 35.97 4.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.648 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -20.28 62.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.115 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -58.86 -35.33 72.78 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.282 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 mt-10 -68.23 -40.65 82.0 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.305 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.91 99.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.139 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.33 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.53 -35.66 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.672 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 78.3 mm-40 -65.51 -41.13 93.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 109.978 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.44 -35.94 92.57 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.13 -40.81 95.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -67.18 -42.21 84.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.058 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.404 ' CD1' HG23 ' A' ' 43' ' ' ILE . 6.1 m95 -60.65 -51.13 70.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.296 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.3 t -59.51 -42.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.813 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -62.73 -45.3 93.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.43 -46.71 63.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.775 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.97 -46.22 85.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.826 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.48 -45.34 93.46 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.154 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -65.16 -42.42 93.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.62 0.248 . . . . 0.0 111.332 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.47 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.4 t80 -63.94 -47.93 78.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.847 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -66.69 -37.13 84.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.44 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.3 -47.12 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.78 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.292 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.4 mt -64.68 -47.04 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.855 0.359 . . . . 0.0 110.054 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.49 -31.97 72.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.57 -13.37 59.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.316 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.81 69.5 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.265 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 22.4 t70 -102.68 95.96 6.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 111.138 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 87' ' ' LEU . 63.0 tttp -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.78 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.78 -48.58 79.27 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.027 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.472 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.8 m -71.71 -36.21 70.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.6 mt -59.42 -44.17 92.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.439 -177.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -58.47 -45.36 88.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.954 0.407 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -68.28 -42.84 78.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.0 mt -63.2 -36.24 82.97 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.788 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.72 -44.8 93.59 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.25 -44.46 91.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.096 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.51 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.442 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.51 -46.78 81.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.245 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.93 -39.44 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.973 0.416 . . . . 0.0 110.562 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.81 -36.22 80.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.902 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.53 80.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.96 -41.1 97.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.088 0.471 . . . . 0.0 110.111 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -70.16 -44.47 68.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -61.94 -46.1 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.86 -39.35 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 36.9 ttp180 -62.1 -46.32 89.57 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.262 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -35.31 77.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.246 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.57 -35.72 80.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.043 0.449 . . . . 0.0 110.291 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.4 -28.29 61.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.451 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 41.8 mt-10 -78.61 -23.81 45.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.772 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 52.61 -124.4 2.28 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.939 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -133.45 -168.58 2.12 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.021 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.551 -0.737 . . . . 0.0 109.719 177.678 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.536 0.208 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.645 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 16.8 mm-40 56.99 63.46 1.91 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.017 0.527 . . . . 0.0 111.413 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.462 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 90.9 m-85 -62.4 -33.22 74.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.039 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 32.5 tt0 -60.58 -45.42 94.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.044 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -72.01 -28.46 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 68.3 mt -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 31.4 mtm180 -66.6 -36.74 83.34 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.271 0.558 . . . . 0.0 109.629 177.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 91.8 mm-40 -62.19 -33.17 74.03 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.86 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.9 m -60.01 -43.88 94.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.16 -42.89 91.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.153 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.82 -35.32 74.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.44 -47.44 83.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.0 t -60.29 -44.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.298 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.78 -41.83 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.49 96.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 94' ' ' LEU . 54.9 m-85 -64.91 -36.17 83.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.54 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.8 mm-40 -60.57 -42.2 96.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -67.17 -42.92 83.48 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.613 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.54 -38.86 85.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.407 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.23 -45.28 91.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.395 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.01 -44.9 87.68 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 31' ' ' SER . 74.5 mt -62.96 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.37 -39.8 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.87 -23.84 67.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.545 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.05 -12.99 27.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.893 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.75 19.35 77.89 Favored Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 113.421 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 12.2 t70 -87.45 93.19 9.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.099 0.476 . . . . 0.0 110.804 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 32' ' ' LEU . 7.0 p-10 -64.91 -30.51 71.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.153 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.35 -50.15 74.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.008 0.432 . . . . 0.0 110.767 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.47 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 15.2 m -69.73 -31.4 69.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.576 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 mt -60.6 -45.95 92.09 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.89 -36.77 80.09 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -60.92 -47.89 84.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.695 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 39' ' ' ILE . 61.6 t -70.06 -36.5 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.697 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.8 mt -60.52 -36.32 78.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.46 -41.37 84.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.84 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt-10 -62.03 -45.99 91.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.239 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.58 ' O ' HG13 ' A' ' 43' ' ' ILE . 93.4 mt -60.57 -37.83 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.196 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' HH22 ' A' ' 76' ' ' ARG . 11.7 tp10 -58.79 -46.31 87.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.5 -43.62 93.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.18 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.4 mt -61.48 -40.5 94.78 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.082 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 39' ' ' ILE . 71.1 mt -61.66 -46.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.657 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -36.79 81.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.45 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -65.12 -43.02 93.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.329 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.19 -37.07 83.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.515 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -60.65 -36.89 79.82 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.198 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -62.8 -30.7 71.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 6' ' ' LEU . 85.8 mt -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.315 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.09 -31.89 64.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.394 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -74.78 -42.32 58.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.709 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.3 -48.23 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -76.8 -28.79 55.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? 74.21 134.8 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.63 158.23 31.98 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.215 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 115.6 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 62.47 76.22 0.37 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.68 0.613 . . . . 0.0 109.742 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -59.93 -42.32 93.7 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.184 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -58.96 -42.38 89.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 tt0 -74.64 -44.64 49.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.82 91.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.989 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.53 84.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.278 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.9 tptp -71.83 -30.79 65.85 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.122 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 85.3 mm-40 -62.96 -42.73 99.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.33 -35.77 90.71 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.81 -41.52 97.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.801 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.3 mm-40 -65.38 -34.32 78.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.269 0.557 . . . . 0.0 109.65 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.443 ' HE1' HG12 ' A' ' 43' ' ' ILE . 64.0 t-105 -67.47 -41.36 84.73 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.869 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -63.31 -39.86 86.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.69 -42.74 99.79 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.304 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.01 -44.79 95.97 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.923 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -66.74 -42.12 86.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.016 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.67 -43.85 92.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 109.896 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.19 -36.79 75.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.041 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.5 t80 -63.76 -43.58 96.0 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.488 178.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.443 HH22 ' HB2' ' A' ' 40' ' ' GLU . 57.9 mtt180 -62.99 -43.23 99.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.97 -39.7 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.07 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.533 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.5 mt -68.64 -36.95 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.612 176.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.6 -34.71 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.495 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.1 -13.61 58.55 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.72 32.07 73.91 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.5 t70 -101.48 90.82 4.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 87' ' ' LEU . 54.7 mtmt -70.85 -25.46 62.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.86 -49.4 77.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.314 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -71.46 -34.41 70.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.818 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 83.0 mt -59.64 -41.67 91.05 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.291 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.75 -40.38 97.05 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.689 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -68.91 -35.72 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.366 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.7 mt -69.38 -36.35 76.71 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.4 mt -59.59 -35.94 75.29 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.344 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.77 -44.9 84.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 109.865 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -66.67 -40.46 88.6 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.524 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 17' ' ' PHE . 37.0 tp -61.77 -45.97 91.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.904 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.77 -42.79 94.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.51 -36.95 85.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 110.157 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.94 -36.31 83.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.994 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.1 mt -62.05 -32.35 72.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.19 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.18 -40.35 90.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.387 0.613 . . . . 0.0 109.456 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.11 -41.32 77.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.384 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 97' ' ' ALA . 67.3 mt -61.65 -39.09 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.501 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.2 mtm105 -60.53 -35.24 75.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -69.3 -39.85 78.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 110.296 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.52 -30.23 68.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.629 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.43 61.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.182 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.65 -26.19 37.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.7 mttm 53.87 28.07 7.98 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.517 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.41 90.75 3.39 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--N 1.311 -1.08 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.111 -178.75 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 20.1 m . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 120.548 0.213 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -93.97 10.74 32.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 110.724 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -119.9 24.69 10.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 1' ' ' SER . 74.4 mm-40 -59.67 -43.93 93.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -63.01 -41.68 99.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.73 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -63.8 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.116 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.99 -47.56 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.489 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -70.95 -43.88 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -60.69 -45.19 96.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.138 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.13 -39.31 82.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.773 0.321 . . . . 0.0 110.967 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.06 -39.18 88.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.679 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.3 tp -60.66 -45.46 94.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.986 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 10' ' ' GLY . 58.7 t -61.59 -44.24 98.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 16.1 mm100 -62.64 -45.73 91.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.623 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.77 96.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 22.4 m-85 -62.97 -37.52 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -65.64 -36.52 83.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.69 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 64.8 mtt180 -62.11 -35.05 77.55 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.4 tp -60.87 -41.06 95.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.98 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HE ' ' HB2' ' A' ' 21' ' ' ARG . 35.1 mtm180 -65.63 -48.27 72.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.196 0.522 . . . . 0.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -42.18 95.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.107 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 28' ' ' ASP . 61.7 mt -67.39 -38.48 80.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 177.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CZ ' HD13 ' A' ' 87' ' ' LEU . 25.9 t80 -60.6 -43.04 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.608 176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.6 -27.12 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.049 0.452 . . . . 0.0 110.568 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.95 -17.57 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.22 27.53 73.63 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.768 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' HB3' HG23 ' A' ' 23' ' ' ILE . 6.7 t70 -93.59 93.0 7.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.979 0.419 . . . . 0.0 110.752 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.14 -28.84 69.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.398 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.26 -50.67 52.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -68.13 -29.93 68.96 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.21 -38.86 80.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.011 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.81 -39.34 93.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 111.394 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 85.9 mm-40 -63.17 -40.84 98.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.4 t -62.73 -35.64 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.56 -37.83 82.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.266 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.42 -37.67 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.971 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 58.8 mt-10 -65.91 -45.69 81.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.044 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.2 mm -59.74 -37.87 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.375 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.01 -47.38 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.182 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -69.67 -46.37 66.26 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.074 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 75.1 mt -61.51 -40.68 95.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.195 -175.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.92 -46.16 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.629 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -41.63 97.32 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.131 0.491 . . . . 0.0 110.838 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -69.86 -44.26 70.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.78 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -64.94 -38.68 91.77 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.237 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.49 -42.88 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.13 -45.12 82.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 93.3 mt -67.41 -46.55 72.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.9 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.62 -39.31 94.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.744 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -73.65 -20.36 60.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.9 mmp_? -72.58 -25.36 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -133.95 -158.17 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -149.15 127.13 11.91 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.87 31.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.464 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.927 0.394 . . . . 0.0 111.098 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.51 -25.44 66.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.997 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 m -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.108 0.48 . . . . 0.0 110.359 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.11 -39.87 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.336 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.93 79.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.525 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.372 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.18 -42.47 75.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -66.2 -42.52 88.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.132 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.57 -36.21 87.78 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.863 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -41.0 95.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.38 -41.06 89.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.448 ' HZ2' ' CZ ' ' A' ' 17' ' ' PHE . 74.8 t-105 -68.01 -46.75 70.38 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.783 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.91 -38.4 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.88 -39.75 93.02 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.28 -47.34 84.74 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.822 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -68.42 -36.87 79.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -61.95 -42.06 98.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -64.74 -37.69 88.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.022 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.56 -45.37 94.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -63.84 -44.02 94.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.42 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.44 -42.54 98.92 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.178 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.47 88.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.27 -46.09 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.355 0.597 . . . . 0.0 109.877 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.6 -37.41 87.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.827 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -87.39 -9.29 55.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.939 0.399 . . . . 0.0 111.32 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.81 66.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.091 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.27 87.61 7.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 87' ' ' LEU . 24.7 pttm -70.66 -26.41 63.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.129 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.29 -42.85 99.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -70.52 -39.46 74.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 84' ' ' LYS . 94.8 mt -59.54 -43.44 93.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.196 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.58 -46.45 83.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.178 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 46.8 tt0 -70.2 -40.82 74.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.573 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.5 mt -60.75 -36.18 78.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.728 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.8 mt -60.02 -43.23 95.39 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.187 0.517 . . . . 0.0 110.031 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.36 -44.43 75.25 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.253 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 45.3 mm-40 -63.26 -41.83 99.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.62 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 98' ' ' LEU . 42.9 tp -61.53 -45.33 94.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.295 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.13 -43.05 91.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -66.39 -39.42 89.04 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.48 96.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.29 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -66.79 -32.9 74.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.12 -40.62 96.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 88.3 tttt -64.06 -41.11 97.48 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.116 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.51 -38.29 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.368 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -61.0 -36.65 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.982 0.42 . . . . 0.0 110.132 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.85 -38.77 76.58 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.141 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 98.6 mt -65.56 -33.69 76.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.08 -15.63 62.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -91.43 -25.08 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 175.7 119.26 0.02 OUTLIER 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.873 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 109' ' ' ASN . 12.1 tttm -70.71 -47.97 56.99 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 108' ' ' LYS . 29.6 t30 . . . . . 0 C--O 1.243 0.713 0 O-C-N 123.997 0.811 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.411 ' H2 ' ' CD ' ' A' ' 106' ' ' GLU . 17.1 m . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 121.206 0.527 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -93.84 -42.98 8.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.806 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.554 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 97.0 m-85 -84.73 96.55 9.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.83 -47.4 86.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -66.78 -37.72 85.14 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.521 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 HD11 ' HB1' ' A' ' 105' ' ' ALA . 9.8 tt -65.5 -42.86 91.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.796 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 10.2 mmm180 -63.21 -43.77 97.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.8 -45.45 92.58 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.589 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.36 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -40.52 99.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.548 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.1 t70 -66.23 -40.88 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.612 0.244 . . . . 0.0 110.557 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.79 -36.83 80.0 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.098 177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.92 -46.13 91.89 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.992 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' GLY . 87.4 t -58.73 -44.16 89.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 64.1 mt-30 -62.27 -39.53 93.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 110.221 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.07 92.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.905 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -67.12 -38.92 86.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.687 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.59 -38.54 91.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.174 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -65.03 -44.02 90.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.36 -37.75 84.51 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.868 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -58.16 -45.68 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.288 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.02 -40.79 78.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.084 0.469 . . . . 0.0 110.517 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.22 -42.0 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.34 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.69 -43.29 97.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.559 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.66 -34.11 77.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.73 -18.48 54.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.676 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.37 73.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.135 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -85.79 93.23 8.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 110.481 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.72 -26.68 67.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.522 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.46 -53.11 53.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.496 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.8 p -74.09 -31.16 62.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.0 tt -59.23 -47.64 84.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.952 -174.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.0 -36.52 82.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.25 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.12 -39.16 93.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 39' ' ' ILE . 94.3 t -68.02 -35.09 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 90.0 mt -60.23 -36.24 77.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.37 -44.35 95.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.667 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.754 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.1 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.24 -40.68 91.1 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.687 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.04 -42.58 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.25 -39.89 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.406 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.3 mt -60.7 -46.15 96.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.527 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.305 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.23 -45.69 93.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.277 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -66.37 -43.48 85.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.654 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -62.11 -43.95 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.826 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -42.27 75.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.689 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.56 -43.44 98.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 110.935 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -69.56 -39.8 77.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.24 -34.13 74.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.016 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.91 -34.21 74.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.464 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -65.28 -25.13 67.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.699 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 71.39 100.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.69 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -163.53 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.922 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -112.82 -29.81 7.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.664 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.34 175.88 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.295 0.638 . . . . 0.0 110.732 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.6 m -65.05 -44.93 87.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 10.3 tp10 -75.14 -37.07 61.5 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.21 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.7 99.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.779 0.324 . . . . 0.0 110.813 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.71 83.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.03 -44.44 80.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.782 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.87 -39.93 79.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.543 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.14 -40.26 96.75 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.107 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.69 -41.78 98.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.67 0.271 . . . . 0.0 111.355 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.19 -39.1 92.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -68.92 -44.83 72.32 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.083 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -67.39 -40.59 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.83 -27.23 69.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.612 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.07 -43.98 95.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.67 -34.32 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.326 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -60.58 -45.37 94.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.252 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 74' ' ' ARG . 27.4 mmt180 -64.3 -37.12 86.36 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.505 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.8 t80 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -64.97 -36.89 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -44.46 75.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.17 -35.91 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.5 mt -62.51 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.216 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.753 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -78.05 -14.59 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.881 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.47 25.76 75.18 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.549 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.1 t70 -89.39 92.85 9.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 87' ' ' LEU . 60.5 mttp -71.47 -33.39 69.27 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.63 -35.42 80.74 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.82 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 34.3 m -70.62 -39.68 73.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 97.4 mt -59.58 -48.48 81.51 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.185 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.18 -44.11 96.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.2 -40.25 95.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.867 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 86' ' ' SER . 92.5 mt -64.58 -36.8 85.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.5 mt -64.7 -45.09 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 110.222 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.26 -44.91 90.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.414 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.05 -34.74 78.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.923 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.06 -47.04 88.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.207 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.36 -42.51 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.464 . . . . 0.0 110.963 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.11 -36.8 85.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.076 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.59 -37.97 86.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.185 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.48 -40.46 96.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 14.2 mm100 -63.53 -44.24 94.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.38 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -61.57 -45.83 92.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -60.21 -44.99 96.65 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -60.37 -46.71 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.105 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 7.1 mm-40 -64.54 -44.61 90.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.076 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 105' ' ' ALA . 4.2 pp -73.94 -35.66 64.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 6' ' ' LEU . . . -75.03 -31.91 61.45 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CD ' ' H2 ' ' A' ' 1' ' ' SER . 28.1 mt-10 -93.69 -24.53 17.82 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.617 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? 58.05 108.03 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.462 0.705 . . . . 0.0 112.09 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -74.42 98.43 3.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.018 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.715 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 62.95 -87.58 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -131.61 81.08 1.96 Allowed 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.63 -34.38 72.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.364 -172.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -63.08 -41.63 99.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 110.003 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.44 -36.75 65.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.492 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -63.39 -47.13 83.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -64.79 -45.55 85.8 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.705 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 m -68.1 -37.03 80.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.068 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -61.71 -44.31 98.08 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.381 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 20.8 t70 -69.47 -38.12 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.192 0.52 . . . . 0.0 109.995 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.66 -38.93 86.52 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.241 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' O ' ' HD1' ' A' ' 17' ' ' PHE . 73.7 mt -63.34 -44.35 95.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.178 176.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 98.3 t -58.24 -40.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.63 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 73.8 mt-30 -61.36 -44.62 96.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.1 77.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.519 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 37.2 m-85 -63.33 -37.11 85.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.494 178.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 15.7 mm100 -60.92 -38.1 84.59 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 98.6 mtt180 -62.98 -40.67 98.45 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.623 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.3 tp -60.83 -45.61 93.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.829 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -65.15 -45.3 85.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.71 -47.02 87.19 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.524 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.432 HD12 ' CG2' ' A' ' 35' ' ' VAL . 72.3 mt -67.07 -38.3 80.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.17 -39.46 86.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.503 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.13 -30.25 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -77.81 -18.44 56.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.238 0.542 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 14.93 80.37 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.47 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.72 93.37 8.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.243 0.544 . . . . 0.0 110.498 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.21 -26.83 68.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.623 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.96 -51.37 59.05 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.536 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.3 m -68.09 -32.19 72.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.172 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.88 -36.5 84.13 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.225 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.42 -39.84 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.811 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' ILE . 49.0 t -61.98 -34.4 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.585 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.2 mt -59.14 -39.36 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.68 -42.75 95.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.454 . . . . 0.0 110.413 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.07 -37.32 86.74 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.165 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.2 mm -64.19 -38.76 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.945 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.5 mt-10 -58.85 -45.67 89.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.18 -45.67 90.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.545 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.55 -39.55 84.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.329 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.1 mt -60.14 -44.47 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -62.33 -42.03 99.05 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.145 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -45.48 85.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.263 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -68.24 -39.48 82.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -62.89 -38.1 89.55 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.025 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.735 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.09 -42.25 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.09 -37.73 69.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.571 ' OD2' ' HA ' ' A' ' 56' ' ' ALA . 21.5 t70 -63.49 -41.72 98.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.16 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.81 -29.4 64.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.202 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.365 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -74.83 -87.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.42 . . . . 0.0 110.282 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.22 25.28 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.358 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.571 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 66.67 92.85 0.08 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.244 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.3 70.77 1.36 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.195 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.051 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.1 m -68.24 -39.91 82.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.77 -45.36 61.9 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.21 -29.34 70.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.59 73.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.667 0.27 . . . . 0.0 110.75 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -76.66 -38.93 53.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.179 0.514 . . . . 0.0 109.804 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.1 -35.92 91.53 Favored Glycine 0 C--O 1.217 -0.939 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.665 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -60.93 -41.89 97.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.754 0.277 . . . . 0.0 111.272 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -71.35 -40.5 70.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.232 0.539 . . . . 0.0 110.043 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -64.99 -48.97 72.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -67.95 -38.84 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 56.8 tt0 -63.08 -30.67 71.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.801 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.76 -45.27 94.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -68.53 -33.73 74.63 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -60.23 -41.98 94.26 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 79.8 mtt180 -59.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' ' 79' ' ' ILE . 53.0 t80 -63.78 -43.43 96.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.718 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -60.53 -43.89 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.295 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.68 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.9 mm-40 -60.3 -46.06 91.19 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.7 83.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 75' ' ' PHE . 43.5 mm -63.7 -45.08 98.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 0.0 109.991 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.58 -37.7 80.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.973 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 26.4 mmtp -84.25 -13.72 51.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.904 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.05 41.93 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.176 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -93.95 96.98 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' ' 87' ' ' LEU . 13.6 tppt? -71.6 -37.53 70.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.4 -176.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -66.86 -34.37 77.64 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -175.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 38.3 m -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.056 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 91.0 mt -58.05 -46.28 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.68 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.57 -44.29 74.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.3 mt -62.62 -36.85 84.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.14 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.3 mt -60.85 -35.68 77.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.966 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 tp10 -65.53 -45.87 81.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.8 -40.08 76.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 110.134 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 98' ' ' LEU . 45.1 tp -61.98 -40.64 96.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.136 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 12.1 tp10 -59.23 -39.24 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.54 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 84.3 mm-40 -60.23 -39.51 86.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.269 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.97 82.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.657 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.2 mm? -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.655 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 86.0 mm-40 -62.53 -42.06 99.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 23.7 ttmm -67.03 -41.05 87.24 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.494 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.66 -41.34 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.924 0.392 . . . . 0.0 110.521 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 102' ' ' ARG . 61.4 mtt85 -60.65 -46.75 89.12 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' HB2' ' HE2' ' A' ' 108' ' ' LYS . 10.3 pt-20 -72.67 -30.71 64.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 78.7 mt -68.45 -41.36 80.38 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.83 -27.28 62.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.162 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -83.2 -16.3 47.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.862 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? 57.95 49.6 11.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.298 -177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 103' ' ' GLU . 38.4 ttpt -61.86 -45.54 93.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.527 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 118.583 -0.722 . . . . 0.0 109.435 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt . . . . . 0 N--CA 1.448 -0.538 0 CA-C-O 120.724 0.297 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 tp -69.35 -44.96 70.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -67.03 -44.4 80.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.03 -46.11 90.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.149 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.3 m -65.31 -39.51 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.82 -44.3 97.67 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.394 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.4 -43.27 94.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 110.787 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.64 -37.18 80.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.92 -48.87 77.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.279 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 10' ' ' GLY . 82.4 t -58.91 -44.23 90.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.704 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.513 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 14.6 mm100 -62.3 -43.45 98.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.09 85.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 94' ' ' LEU . 25.3 m-85 -65.38 -38.44 90.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.379 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.9 mm100 -61.55 -43.65 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 2.9 mpt_? -64.56 -35.66 81.71 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.162 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.18 -43.95 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.556 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -65.11 -39.98 93.88 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 42.0 mt-10 -63.19 -41.6 99.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.788 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 19' ' ' ARG . 83.5 mt -66.13 -38.37 81.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.363 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.63 -39.21 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.604 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.5 -28.2 69.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.13 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.48 -17.67 50.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.11 19.19 75.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.874 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -90.28 93.73 9.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.577 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -69.52 -25.96 64.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.926 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.38 -50.72 58.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.194 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.0 m -67.01 -34.35 77.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -62.14 -46.43 89.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.602 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.92 -40.57 95.26 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -63.71 -44.84 92.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.837 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' SER . 89.0 t -63.27 -34.69 68.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.751 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.1 mt -60.0 -36.12 76.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.349 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.37 -41.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.85 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' ILE . 38.4 mm -60.15 -38.82 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.065 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.77 -43.26 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.606 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.71 -41.08 98.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.876 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.61 -40.58 84.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.5 mt -59.62 -43.77 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.9 -44.36 96.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.139 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -70.27 -40.24 74.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -65.59 -41.72 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 109.74 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -63.55 -36.21 83.04 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.651 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.2 -42.98 99.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.866 0.365 . . . . 0.0 110.418 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.8 mt -67.47 -42.63 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.408 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -68.04 -40.45 82.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 19.5 t70 -68.33 -25.3 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.137 0.494 . . . . 0.0 110.662 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -81.37 -44.51 17.48 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.291 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -75.1 -31.97 61.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 51' ' ' ASP . 4.1 pt20 -18.68 91.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -174.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 55' ' ' GLU . 8.8 pt-20 -92.64 -16.37 25.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.34 -176.76 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.31 127.6 32.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.691 0.282 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.6 -37.02 82.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -61.22 -41.95 97.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.978 0.418 . . . . 0.0 110.283 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.47 -40.97 73.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.558 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.81 95.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 -42.96 68.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.633 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.8 -32.76 74.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.03 -42.02 97.24 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.15 -37.92 95.23 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 9.9 t70 -61.25 -41.81 97.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.422 -0.389 . . . . 0.0 110.537 177.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.27 -42.51 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.4 -43.02 99.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.462 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 65' ' ' GLY . 72.2 t -63.94 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 49.3 mt-30 -63.04 -30.59 71.72 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.515 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.04 -48.39 71.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-O 120.845 0.355 . . . . 0.0 110.461 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.52 -35.17 70.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.471 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 22.1 tm0? -61.04 -46.57 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.847 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -68.7 -35.43 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.609 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 71.9 t80 -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.889 -178.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.59 -38.85 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.794 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 12.1 mm-40 -61.91 -39.78 93.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.363 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.627 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 78.5 mt -62.49 -43.06 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.55 -36.66 83.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.975 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -78.18 -14.22 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.24 23.87 73.31 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 15.7 t70 -87.02 96.87 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.126 0.488 . . . . 0.0 110.971 -176.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -65.32 -29.35 70.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.12 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.44 -47.67 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 18.6 m -70.0 -36.41 75.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.8 mt -59.4 -48.2 82.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.338 -178.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 44.1 mt-10 -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.904 0.383 . . . . 0.0 111.042 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.09 -43.19 99.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.803 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 86' ' ' SER . 95.4 mt -67.99 -35.85 79.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.412 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.9 mt -61.06 -41.0 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.465 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 51.8 mm-40 -65.47 -44.31 87.56 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.117 0.484 . . . . 0.0 110.176 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.89 -41.1 90.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.818 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 17' ' ' PHE . 66.9 tp -61.96 -45.9 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.615 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 51.0 mt-10 -62.99 -46.94 85.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.51 -35.51 80.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -64.19 -40.91 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.389 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.1 mt -62.7 -40.46 97.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 95.6 mt-30 -62.69 -40.85 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.39 -45.69 68.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 97' ' ' ALA . 74.5 mt -60.67 -39.92 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.824 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -60.59 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 6.9 mm-40 -66.36 -37.84 86.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.896 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.04 -33.87 75.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.437 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.7 67.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.023 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.32 -2.9 58.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.482 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.2 tptm . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 121.57 0.7 . . . . 0.0 110.6 -179.426 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.58 -38.24 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -63.28 -46.83 84.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.95 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -63.81 -45.06 91.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.462 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.47 -47.07 80.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.151 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.67 -41.61 89.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.836 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.46 -46.9 68.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.45 0.167 . . . . 0.0 111.055 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.85 -36.48 84.07 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.281 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.49 -48.6 81.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -66.86 -45.68 87.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 110.673 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 19.5 mm100 -64.47 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.039 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.52 94.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 110.66 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CD2' HD21 ' A' ' 94' ' ' LEU . 47.5 m-85 -67.63 -38.44 83.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.818 177.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.31 -44.0 97.93 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 38.4 mtm-85 -69.71 -35.91 75.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.2 0.524 . . . . 0.0 109.927 177.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.09 -38.03 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.315 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -58.54 -42.28 87.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.88 -41.3 91.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.681 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 35' ' ' VAL . 73.6 mt -64.53 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.391 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.35 -41.09 94.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.325 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -77.58 -17.81 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.329 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.18 65.82 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.639 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.11 92.4 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.071 0.462 . . . . 0.0 110.069 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.32 -37.19 86.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.948 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.85 -50.25 74.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.888 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -69.33 -30.89 69.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.7 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 14.7 tp -59.75 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.33 -39.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.76 -46.96 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.17 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -65.9 -34.5 70.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.93 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.2 mt -60.12 -39.43 86.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.075 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.79 -39.38 94.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.488 . . . . 0.0 110.194 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.8 mm-40 -61.14 -41.07 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.926 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.8 mt -66.56 -38.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.742 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 52.5 mt-10 -58.84 -40.65 84.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.01 0.434 . . . . 0.0 110.476 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.95 -39.43 90.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.9 mt -65.95 -40.15 91.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 95.4 mt -60.22 -45.73 95.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.276 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -67.79 -39.91 83.98 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.267 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 59.2 mtpt -61.46 -44.56 96.9 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.028 0.442 . . . . 0.0 110.099 177.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.81 -47.68 84.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.34 -35.05 78.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -66.33 -36.58 83.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.584 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.1 mt -62.83 -39.38 94.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.95 -43.35 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.061 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.4 -33.29 75.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.128 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -81.12 -28.95 34.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.301 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -67.02 -38.36 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -150.98 120.87 7.09 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.263 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -80.07 94.29 5.93 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.04 -172.94 2.55 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.444 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB3' ' HG3' ' A' ' 60' ' ' GLU . . . -73.9 157.99 35.27 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.747 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.46 -39.15 89.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.034 0.445 . . . . 0.0 110.311 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.89 -33.24 75.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.396 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 44.8 mt-10 -70.94 -41.4 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.299 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.86 91.28 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.34 83.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.822 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.47 -44.54 96.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.18 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.28 -37.99 74.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.309 0.575 . . . . 0.0 110.263 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.97 -46.49 44.25 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.413 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.11 -35.81 78.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.269 0.628 . . . . 0.0 112.395 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.1 -43.14 96.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 0.0 110.127 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -69.33 -41.49 76.59 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.035 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.4 t -61.17 -37.94 78.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.44 -38.89 88.82 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.501 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HG ' ' NH2' ' A' ' 74' ' ' ARG . 2.2 tt -65.41 -46.67 79.06 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.25 -38.68 91.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.48 -45.67 93.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.585 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' NH2' ' HG ' ' A' ' 71' ' ' LEU . 52.8 mtm180 -61.43 -36.99 81.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.148 0.499 . . . . 0.0 110.145 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 79' ' ' ILE . 61.3 t80 -66.76 -46.67 74.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.527 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -62.45 -44.55 96.14 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.853 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.26 -46.18 91.45 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.57 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.14 -35.92 80.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.4 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -64.27 -46.09 94.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.57 -36.78 83.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.382 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 12.6 mptt -88.66 -4.02 58.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.87 31.69 61.92 Favored Glycine 0 C--O 1.235 0.215 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.357 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m-20 -88.39 78.62 7.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.105 0.479 . . . . 0.0 110.665 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.545 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.51 -39.54 84.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.255 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 11.9 m -71.94 -38.46 69.83 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.8 mt -60.13 -48.51 81.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.835 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.73 -36.26 83.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.554 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.59 -35.02 78.2 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.4 mt -66.4 -34.61 78.35 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.318 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 91.2 mt -58.61 -34.38 71.07 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.93 -44.6 95.62 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.997 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.91 -41.03 97.45 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.416 0.627 . . . . 0.0 109.429 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 17' ' ' PHE . 59.6 tp -61.66 -46.12 91.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 43.8 mt-10 -60.14 -46.69 88.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -63.46 -39.26 94.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.6 mt -63.4 -42.32 98.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 68.0 mm-40 -66.16 -39.22 89.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 59.0 tttp -61.21 -40.3 93.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.999 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 97' ' ' ALA . 71.0 mt -60.13 -45.75 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.584 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -68.54 -37.46 79.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.768 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 35.6 mm-40 -60.8 -39.0 87.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.141 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.5 mt -73.47 -40.97 63.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.036 178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.3 -28.58 63.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.085 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -2.96 58.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.107 0.48 . . . . 0.0 110.862 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.863 178.22 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.08 -44.93 87.31 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 7' ' ' ARG . 15.0 ttp180 -70.72 -38.91 73.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.296 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -60.61 -43.31 97.61 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 46' ' ' HIS . 31.2 m -61.58 -35.68 78.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.74 -44.79 88.57 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.04 -44.04 97.0 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 109.975 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.01 -36.84 80.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.801 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.84 -47.44 85.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.8 t -60.15 -45.11 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.797 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.44 -45.85 92.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 39' ' ' ILE . . . -60.59 -44.56 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.413 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -67.82 -38.73 83.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.567 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 86.5 mm-40 -61.34 -44.07 97.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.929 0.395 . . . . 0.0 110.014 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -66.02 -36.78 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.379 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.8 -44.74 96.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -65.0 -40.73 95.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 46.1 mt-10 -60.75 -46.7 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.309 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 28' ' ' ASP . 80.5 mt -66.97 -39.12 82.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.76 -41.78 98.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.97 -32.62 74.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.31 -17.61 48.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.569 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 28.0 54.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.649 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.1 t70 -91.47 92.99 8.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.27 0.535 . . . . 0.0 110.091 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.42 -39.59 87.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.888 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.22 -50.92 71.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.606 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.6 m -71.49 -34.0 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 tp -61.45 -46.88 88.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 0.0 109.896 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.46 -40.63 93.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.724 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.73 -39.83 95.3 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.865 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' SER . 98.6 t -68.83 -34.27 63.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.892 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -59.08 -38.2 78.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.035 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.01 -43.4 95.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.5 tt0 -61.92 -45.45 93.68 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.149 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.9 mt -59.6 -39.29 79.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.97 -42.29 97.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.66 -45.27 94.76 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.0 mt -61.95 -42.66 99.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.017 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.1 mt -60.85 -46.62 95.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.685 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.47 -44.32 87.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 88.8 tttt -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.414 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 78.6 t60 -63.27 -46.62 85.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -34.35 77.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.024 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.06 -45.78 69.5 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.276 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 87.7 mt -63.2 -46.01 89.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.431 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -63.09 -47.68 81.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.846 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.93 -31.25 71.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.629 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -74.15 -28.74 61.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.457 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.5 mmm180 -75.46 -38.91 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.655 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' A' ' 56' ' ' ALA . 60.1 tt0 -174.53 155.1 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.881 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -36.52 51.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.434 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' H ' ' HG2' ' A' ' 54' ' ' GLN . . . 53.72 47.61 23.35 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.888 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.22 111.64 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.971 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.718 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.8 t -64.19 -39.42 93.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.53 -44.73 73.96 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.9 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.541 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.09 84.58 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.101 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.718 ' HG2' ' O ' ' A' ' 59' ' ' THR . 29.3 mmtp -66.5 -43.66 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 110.539 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -65.92 -43.37 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.082 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -45.78 68.81 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.656 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.25 -41.65 97.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.644 0.259 . . . . 0.0 111.555 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 77.6 mm-40 -70.26 -39.07 75.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -68.21 -46.04 71.68 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.44 -41.43 91.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.632 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.25 -42.3 99.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.74 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.263 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.84 -43.2 99.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.115 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' HA ' ' HG3' ' A' ' 76' ' ' ARG . 50.2 tt0 -60.85 -44.9 96.36 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 178.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -59.8 -42.48 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.836 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.441 ' HA ' HD13 ' A' ' 90' ' ' LEU . 56.2 t80 -66.73 -48.09 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.63 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -65.65 -33.82 76.77 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.294 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.63 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 7.8 tp10 -60.03 -46.13 90.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.921 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.57 -36.27 83.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.581 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.0 mm -64.54 -47.1 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.075 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.62 -34.71 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.336 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.62 -11.35 59.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.188 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.49 31.94 68.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.684 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 t70 -97.59 96.14 8.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.0 110.741 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 87' ' ' LEU . 96.5 mttt -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.496 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.3 -49.93 75.43 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.756 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 p -72.21 -34.28 68.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.972 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.4 mt -59.29 -40.98 87.85 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.05 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.3 mt-10 -62.91 -39.28 94.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.724 0.297 . . . . 0.0 111.069 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.06 -37.82 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.21 0.528 . . . . 0.0 109.983 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 75' ' ' PHE . 24.4 mt -61.3 -35.88 78.56 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.665 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.4 mt -59.14 -40.42 85.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.136 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -69.92 -41.71 74.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 110.758 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -34.78 78.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.175 0.512 . . . . 0.0 110.448 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 98' ' ' LEU . 31.6 tp -61.35 -45.02 96.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.537 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.18 -46.2 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.998 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.25 -41.95 99.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.57 86.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.901 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -67.93 -38.98 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 78.8 mt-30 -63.64 -40.54 97.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.03 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 86.2 tttt -61.83 -47.18 86.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.815 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.02 -42.89 97.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -63.93 -39.04 93.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.241 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 24.4 mm-40 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.162 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 90.6 mt -65.4 -31.89 73.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 110.578 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.63 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -84.93 -2.6 58.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.364 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 120.859 0.362 . . . . 0.0 110.513 179.239 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.591 0.234 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.87 -42.53 69.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.399 . . . . 0.0 110.692 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HD3' ' C ' ' A' ' 7' ' ' ARG . 3.7 tmt_? -63.33 -45.69 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.381 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -69.89 -34.47 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -62.96 -41.47 99.54 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -66.77 -39.89 93.68 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 17.8 t70 -60.27 -39.08 85.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.965 0.506 . . . . 0.0 110.798 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.69 -37.17 83.13 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.238 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.27 -39.59 92.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.636 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 98' ' ' LEU . 47.4 t -58.77 -42.3 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.15 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 73.8 mm-40 -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.183 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.43 91.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.46 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 94' ' ' LEU . 46.2 m-85 -67.49 -40.44 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -64.2 -41.9 96.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.14 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 23' ' ' ILE . 20.8 tpp180 -66.4 -36.54 83.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.901 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.88 -42.82 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.257 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -63.41 -40.0 96.02 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 46.7 mt-10 -61.97 -45.4 93.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.787 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 19' ' ' ARG . 75.1 mt -63.65 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.309 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.64 -41.0 94.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.826 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.36 -30.13 69.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.227 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.1 mttt -77.69 -17.35 57.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.57 27.15 57.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.809 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -93.15 92.45 7.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.0 -27.09 63.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.348 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.86 -51.01 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.976 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 10.8 m -72.2 -33.92 67.99 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.512 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -61.19 -47.29 86.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.259 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.362 . . . . 0.0 111.313 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -64.92 -42.06 95.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' SER . 92.6 t -66.41 -35.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.818 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -60.71 -36.65 79.34 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.09 0.472 . . . . 0.0 110.19 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -38.64 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.335 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.03 -44.68 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.9 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.7 mt -60.03 -38.93 78.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.468 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.84 -39.16 90.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.66 -44.08 82.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.803 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 45' ' ' LYS . 96.6 mt -61.78 -39.09 90.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.893 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 39' ' ' ILE . 98.2 mt -59.98 -44.34 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.041 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.71 -37.62 87.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.067 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 80.5 tttt -60.7 -45.08 95.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.989 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -64.93 -45.32 86.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.094 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 39.2 mmt180 -61.91 -42.51 99.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.603 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 99.2 mt -66.75 -35.8 80.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -73.13 -41.07 64.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.744 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.64 -34.87 77.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -19.79 62.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.677 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 25.5 mmt180 -75.78 -37.49 59.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 0.0 110.649 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -145.02 86.4 1.78 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.132 0.492 . . . . 0.0 110.196 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.383 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.46 -20.89 59.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.86 30.38 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.307 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.31 -37.78 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.636 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.5 m -76.22 -42.06 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.524 0.202 . . . . 0.0 111.515 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.53 -44.53 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.651 0.262 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.25 86.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -42.76 78.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -72.38 -37.68 68.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.867 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.61 -40.88 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.3 -36.05 91.14 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.536 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.75 -42.0 96.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.824 0.345 . . . . 0.0 110.734 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -69.54 -35.05 75.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' HE1' HD13 ' A' ' 43' ' ' ILE . 52.9 t-105 -67.13 -47.6 70.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.219 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' GLY . 91.1 t -61.91 -39.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 22.1 tp60 -62.24 -42.03 98.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.252 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.45 -42.95 91.82 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -61.86 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.495 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.72 -37.44 87.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.04 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 95.8 mtt180 -58.76 -37.67 76.76 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.34 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.557 ' O ' HG13 ' A' ' 79' ' ' ILE . 73.6 t80 -63.5 -46.96 83.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.576 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -65.52 -41.39 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 10.3 mm-40 -60.87 -42.91 98.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.36 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.23 83.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 75' ' ' PHE . 77.1 mt -64.11 -42.06 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.08 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.938 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 84.8 mttt -80.07 -13.59 59.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.459 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.0 70.43 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.955 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.749 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.0 t70 -87.39 91.52 8.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -70.99 -36.34 72.43 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.832 -173.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -65.16 -36.18 83.41 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.609 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 24.3 m -70.69 -38.83 73.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.819 177.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.5 mt -60.02 -47.61 85.15 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.77 -45.44 85.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.75 -42.89 81.08 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.802 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.5 mt -61.41 -36.49 80.46 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.384 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.7 mt -59.61 -46.17 89.75 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.21 -44.05 72.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.733 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.57 -40.42 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.073 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 98' ' ' LEU . 38.3 tp -66.2 -46.42 77.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.774 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.62 -42.97 97.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.866 0.365 . . . . 0.0 111.254 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.82 -35.21 79.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -38.09 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.85 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 14' ' ' VAL . 4.1 mm? -63.3 -35.25 79.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.308 177.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 16.0 mm100 -62.85 -38.22 89.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.497 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 32.0 mmtm -67.74 -36.32 80.35 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.885 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.44 HD12 HD13 ' A' ' 98' ' ' LEU . 67.0 mt -61.94 -40.31 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 0.0 110.066 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.28 -38.17 85.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.6 mt-10 -73.07 -44.92 59.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.768 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -61.48 -28.38 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.356 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -29.41 70.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 0.0 111.079 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -94.85 -22.41 18.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.27 0.557 . . . . 0.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.977 0.417 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtp180 -62.94 -44.28 96.49 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.019 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -61.3 -44.5 97.11 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.062 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -67.49 -35.07 78.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.134 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.62 90.13 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.24 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 19.5 t70 -66.47 -35.54 80.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.718 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.22 -45.44 91.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.277 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.58 -46.67 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.616 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 41.8 t -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.776 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 14.1 mm100 -67.71 -40.22 84.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.494 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.07 -40.5 93.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD2' HD21 ' A' ' 94' ' ' LEU . 42.7 m-85 -67.4 -36.85 82.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 81.4 mm-40 -61.43 -42.89 99.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 26.4 ptt85 -68.78 -32.96 73.06 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.228 0.537 . . . . 0.0 109.64 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.41 -39.33 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.53 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -59.46 -38.5 80.96 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.654 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -45.11 94.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.211 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.1 mt -67.9 -41.02 84.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.376 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.57 -38.69 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.06 -33.98 74.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -84.28 -7.38 59.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.954 0.407 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.43 27.43 73.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.063 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.53 92.47 9.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.951 0.405 . . . . 0.0 110.101 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -61.17 -39.32 89.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.574 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 4.6 m-20 -60.42 -51.35 69.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.372 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.0 m -70.26 -33.33 71.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 23.7 tp -61.56 -47.26 86.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.308 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.58 -40.85 93.19 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 80.0 mm-40 -60.42 -42.82 96.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.5 t -70.09 -34.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 72.6 mt -60.1 -37.1 78.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.671 0.272 . . . . 0.0 110.386 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 33.6 tt0 -63.36 -43.48 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.3 tt0 -63.38 -41.69 98.79 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.145 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.0 mm -59.73 -40.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 39.5 tt0 -61.39 -40.67 95.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.796 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 40.1 mt-10 -66.53 -41.91 88.05 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.7 mt -61.89 -39.63 92.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.333 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.7 mt -60.22 -40.99 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 82.8 mm-40 -62.32 -39.92 94.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -66.1 -43.41 87.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.317 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.018 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -60.08 -44.62 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.06 -44.72 68.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.69 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.15 -43.29 87.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.776 0.322 . . . . 0.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 68.0 t80 -66.31 -36.99 84.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.59 -33.77 60.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.99 -35.13 79.16 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -70.69 -24.15 62.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.515 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 78.4 mm-40 -73.42 86.06 1.52 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -87.75 103.18 15.37 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 72.6 154.36 0.14 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.89 -173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.67 16.85 10.61 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.934 0.397 . . . . 0.0 111.332 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.04 -21.73 66.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.878 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -62.61 -31.19 71.98 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.999 0.428 . . . . 0.0 110.597 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.03 -38.56 72.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.165 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.17 -33.72 76.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.481 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.85 83.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.286 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -72.01 -40.93 68.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.657 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.52 -36.73 84.73 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -33.75 85.17 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.097 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 2.1 mp0 -65.05 -38.98 92.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.7 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -68.0 -45.83 72.99 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.92 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.723 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -62.54 -35.85 80.74 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 93.7 mt -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.521 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.88 -45.19 82.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.73 -37.68 88.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -64.2 -36.58 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' HA ' HD13 ' A' ' 90' ' ' LEU . 70.3 t80 -66.33 -46.96 75.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -63.05 -40.29 97.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 111.175 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.84 -44.07 97.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 75' ' ' PHE . 77.7 mt -68.83 -45.37 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.63 -37.14 86.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.189 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.81 -13.38 59.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.637 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.45 31.56 74.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.035 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.5 t70 -95.23 97.64 10.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -60.04 -33.06 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.33 -44.65 92.59 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.545 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -70.88 -35.64 72.43 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.467 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 93.7 mt -61.73 -49.72 75.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.57 -42.1 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.513 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -68.92 -37.55 78.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.206 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 75' ' ' PHE . 29.6 mt -61.69 -35.92 79.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.914 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 98.9 mt -59.13 -38.43 79.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.916 0.389 . . . . 0.0 110.092 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.4 -45.29 66.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.859 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.03 -42.77 84.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 17' ' ' PHE . 51.5 tp -62.19 -45.41 93.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.884 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.46 -37.64 88.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -60.26 -42.23 94.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 110.117 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.29 85.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.45 -39.14 92.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.14 -41.49 99.3 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.18 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.91 -46.75 67.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.922 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.91 -37.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -60.49 -46.83 88.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.28 -40.23 95.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.16 -41.48 85.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.238 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.69 -28.62 63.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 7' ' ' ARG . 9.3 mm-40 -76.0 -20.74 57.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.07 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -175.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 105' ' ' ALA . 4.3 mm? -63.63 -38.9 92.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.393 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -62.87 -43.15 99.57 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.488 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.701 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.3 mt-30 -61.74 -47.94 82.94 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.983 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 m -69.82 -44.4 70.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.778 0.323 . . . . 0.0 111.482 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.44 -39.6 96.5 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.507 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.75 -36.08 75.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.248 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 55.0 mt-10 -60.71 -38.01 83.62 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 110.427 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.02 -47.63 85.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 51.9 t -60.73 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 80.1 mt-30 -61.63 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.032 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.29 74.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.716 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 94' ' ' LEU . 20.0 m-85 -62.42 -38.25 88.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 84.0 mm-40 -61.51 -43.21 99.28 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.407 177.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 6.5 mpt_? -69.37 -32.59 71.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 HD13 ' HB ' ' A' ' 35' ' ' VAL . 37.8 tp -59.41 -42.7 92.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.756 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -65.21 -38.66 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.79 -45.52 94.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.505 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.1 mt -67.1 -39.53 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.354 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -60.89 -39.93 91.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.9 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.65 -32.91 74.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.68 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -82.26 -17.84 44.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 0.0 110.895 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.94 25.49 64.37 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.106 -0.569 . . . . 0.0 113.172 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.56 91.8 8.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.93 0.365 . . . . 0.0 110.262 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.44 -44.18 89.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.043 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.44 -44.04 97.37 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.071 0.462 . . . . 0.0 110.923 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -71.63 -32.95 68.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.612 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.56 -47.23 84.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.4 -36.03 82.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.15 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 tm0? -59.06 -40.4 85.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.396 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 39' ' ' ILE . 61.5 t -69.55 -36.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.31 -36.64 78.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.617 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.98 -40.81 91.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.938 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 mm-40 -64.0 -43.15 96.54 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.213 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.2 mm -59.82 -39.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.307 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.42 -41.55 89.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.507 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 87.5 mt-10 -68.21 -40.46 82.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -64.59 -40.38 95.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.172 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 97.6 mt -60.24 -41.57 87.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 110.135 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.75 -36.65 84.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.012 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 62.1 mtpt -61.55 -44.46 97.0 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.482 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.95 -42.16 97.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.472 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' ARG . 31.0 mmt180 -66.88 -38.66 86.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.702 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -63.65 -40.24 96.34 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.111 0.481 . . . . 0.0 110.173 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 95.0 mt -68.42 -38.12 80.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.943 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -67.21 -39.08 86.25 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 15.2 t70 -64.28 -33.98 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.443 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.12 -36.87 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.332 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -75.32 -40.18 58.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.884 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 6.3 tp-100 38.96 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.241 1.017 . . . . 0.0 112.623 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -110.63 24.41 13.0 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 120.952 0.406 . . . . 0.0 111.415 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.66 13.16 6.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.03 65.03 6.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.245 0.545 . . . . 0.0 109.941 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.73 -42.95 73.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.49 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -65.74 -41.86 91.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.61 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.8 tt0 -68.95 -41.62 77.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.462 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.1 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.05 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.209 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -63.1 -45.0 94.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.06 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 11.5 pt20 -75.41 -37.67 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.075 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -68.48 -46.62 61.9 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.716 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.72 -41.91 98.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.409 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.439 ' HE1' ' CD1' ' A' ' 43' ' ' ILE . 73.7 t-105 -66.79 -40.24 88.07 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -63.61 -42.78 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.2 -44.97 93.86 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.09 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -65.02 -38.99 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.84 -45.33 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.233 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -62.57 -39.94 95.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.026 0.441 . . . . 0.0 110.381 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 t80 -63.74 -44.63 92.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.769 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -42.79 99.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.074 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.3 -46.86 88.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.715 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.64 83.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.361 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.7 mt -64.98 -41.19 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.92 0.39 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.19 -35.87 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.975 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.57 -13.55 57.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.99 31.45 66.83 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.962 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -96.97 96.33 8.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.904 0.383 . . . . 0.0 110.38 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -70.28 -24.86 63.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.334 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.63 -46.55 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.462 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.8 p -71.21 -39.5 71.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.555 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 96.7 mt -59.36 -41.27 88.85 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.95 -47.1 83.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.554 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.4 mt -63.93 -41.01 97.76 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.666 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.2 mt -61.32 -44.59 96.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.414 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.96 -45.52 92.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.748 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.89 -33.59 72.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.27 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.356 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.84 -44.77 93.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.258 0.551 . . . . 0.0 110.42 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.12 -36.54 82.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.892 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.66 -38.08 88.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.8 mt -62.52 -37.72 87.17 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.131 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.16 -44.67 94.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.953 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.587 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.0 mttp -63.55 -43.31 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.68 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.4 mt -59.83 -43.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 19.3 mtp180 -62.3 -39.01 91.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.656 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 107' ' ' LYS . 46.8 mt-10 -69.13 -39.62 78.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.792 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 82.9 mt -66.39 -40.14 89.46 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.582 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 6' ' ' LEU . . . -65.76 -24.1 66.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -86.8 -10.5 53.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.202 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 27.3 mtpp . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.907 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 CA--C 1.514 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' CD2' ' HD3' ' A' ' 53' ' ' ARG . 46.1 tp -70.57 -36.25 73.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.74 -42.61 85.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.062 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 48.7 tt0 -65.52 -46.11 80.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.2 m -69.47 -36.42 76.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.36 -40.06 98.56 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.58 -40.93 98.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 42.6 mt-10 -60.85 -43.74 97.92 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.66 -48.16 83.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.628 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 95.7 t -64.55 -42.54 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -62.34 -40.79 97.53 Favored 'General case' 0 N--CA 1.419 -1.987 0 C-N-CA 122.784 0.433 . . . . 0.0 110.425 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.83 99.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.5 m-85 -66.13 -39.37 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 76.4 mm-40 -63.88 -36.66 84.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 109.939 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' HG13 ' A' ' 23' ' ' ILE . 19.1 tpp180 -66.57 -40.82 89.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.02 -39.05 88.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.372 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' PHE . 22.6 mtp180 -59.28 -44.53 92.46 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.307 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -64.93 -38.46 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 19' ' ' ARG . 79.4 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.186 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 87' ' ' LEU . 71.2 t80 -67.14 -38.79 86.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.626 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.71 -35.15 77.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.583 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -94.48 -6.83 43.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.008 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 28.84 55.23 Favored Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.934 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.0 t70 -86.36 93.46 9.11 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.325 0.584 . . . . 0.0 110.466 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.73 -43.91 74.95 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.97 -46.38 89.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . 97.8 p -72.6 -31.1 64.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.453 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tt -58.68 -46.24 87.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -174.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -39.79 95.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.865 0.364 . . . . 0.0 111.156 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.8 -43.8 78.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.1 t -62.59 -36.66 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.793 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.5 mt -60.64 -41.44 94.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.319 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.29 -38.03 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.475 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -67.53 -39.09 85.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 43' ' ' ILE . 66.0 mt -61.63 -37.7 78.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 176.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.38 -43.17 88.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.957 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.99 -37.25 86.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.649 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.73 -40.23 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.348 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -60.47 -38.49 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -62.31 -46.24 89.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.792 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.05 -45.43 93.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.299 0.571 . . . . 0.0 109.949 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.622 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -66.45 -34.43 77.93 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.19 -44.79 96.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.78 -37.4 65.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.274 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.72 -48.88 73.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -67.09 -24.2 65.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -80.3 -35.88 35.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 6' ' ' LEU . 43.6 mtp180 -68.75 -39.28 80.38 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.684 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -158.54 143.43 16.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.03 126.65 40.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.47 157.52 17.0 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.583 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -72.09 166.78 21.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.255 178.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.32 -42.25 95.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.176 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -69.74 -42.11 74.35 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.033 0.444 . . . . 0.0 110.506 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' OE1' ' HB3' ' A' ' 57' ' ' ALA . 1.2 mp0 -66.86 -45.72 77.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.395 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.95 86.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.27 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.19 71.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.933 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.74 -44.33 90.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.699 0.285 . . . . 0.0 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.403 HE21 HD11 ' A' ' 104' ' ' LEU . 11.7 mm100 -75.72 -40.0 56.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.992 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.21 -44.62 93.58 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.604 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.3 -40.0 92.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.51 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.89 -42.64 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.639 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -67.51 -47.77 69.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 65' ' ' GLY . 76.3 t -61.1 -38.95 80.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -44.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.568 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.7 -44.91 96.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.339 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -65.42 -46.06 81.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.043 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.02 -46.51 81.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.521 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -68.5 -38.51 81.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 79' ' ' ILE . 85.5 t80 -61.73 -49.82 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.106 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -68.26 -35.7 78.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.956 0.408 . . . . 0.0 111.209 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.27 -42.46 99.36 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.658 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -35.15 78.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.038 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.9 mt -61.0 -38.08 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.107 0.48 . . . . 0.0 109.903 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -27.69 69.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -93.91 -13.41 27.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.555 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.3 22.32 78.55 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.19 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 28.8 t70 -87.26 91.07 8.59 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.167 0.508 . . . . 0.0 110.812 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 87' ' ' LEU . 22.2 ptmt -64.66 -24.2 67.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.262 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.66 -49.56 76.09 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 37.9 m -71.96 -39.79 69.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.585 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 24' ' ' PHE . 97.4 mt -59.29 -48.37 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -175.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.679 0.276 . . . . 0.0 111.383 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 52.7 tt0 -69.79 -43.66 71.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.075 0.465 . . . . 0.0 110.235 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.2 mt -61.1 -33.46 73.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.35 -44.0 83.93 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 110.643 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -70.38 -38.28 74.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.996 0.427 . . . . 0.0 110.672 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 7.2 mm-40 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 17' ' ' PHE . 52.8 tp -66.48 -39.9 89.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.361 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.94 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.335 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.05 -35.83 80.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.807 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.0 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.3 mt -62.81 -43.77 97.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 110.45 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -70.29 -35.76 73.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.807 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -61.63 -46.04 91.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.15 -40.82 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.608 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -60.88 -39.46 89.31 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.85 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -63.35 -42.35 98.91 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.352 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.403 HD11 HE21 ' A' ' 64' ' ' GLN . 88.8 mt -69.78 -34.58 73.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.41 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -73.34 -31.58 64.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.06 -22.71 17.73 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.293 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 35.6 ttmt . . . . . 0 N--CA 1.439 -1.004 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.18 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.817 0.341 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 49' ' ' LEU . 69.3 mt -72.43 -44.69 62.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.574 . . . . 0.0 109.753 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.545 ' HG3' ' OE2' ' A' ' 106' ' ' GLU . 49.1 ttp180 -70.2 -47.02 63.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.455 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 10.0 mm100 -63.84 -39.23 93.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.1 m -62.38 -45.56 92.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.675 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -39.99 97.02 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.072 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 44.5 mt-10 -60.15 -41.35 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.876 0.37 . . . . 0.0 110.023 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.56 ' HB3' HD12 ' A' ' 98' ' ' LEU . 43.0 mt -60.39 -47.69 84.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.43 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 43.6 t -59.89 -45.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.764 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.38 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -67.94 -37.31 81.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.856 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 79.4 mm-40 -61.35 -41.15 96.6 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.812 0.339 . . . . 0.0 110.241 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -67.81 -37.22 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.71 -38.17 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.434 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -58.34 -43.87 88.48 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.009 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.5 -43.19 90.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.7 -45.95 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.335 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -64.57 -38.9 92.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.507 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.46 -35.45 77.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -88.67 -16.59 31.95 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.73 27.07 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.614 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.94 90.6 8.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.134 0.492 . . . . 0.0 110.009 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.04 -28.26 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.155 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.59 -51.67 68.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.219 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 m -72.79 -31.49 64.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.1 -44.3 94.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.86 -36.85 72.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.446 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -63.25 -36.17 82.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.971 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 39' ' ' ILE . 60.5 t -62.34 -37.16 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.832 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.69 -37.1 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.911 0.386 . . . . 0.0 110.807 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.3 mm-40 -69.62 -43.06 73.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.816 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.12 -42.19 89.53 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -60.41 -38.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 7.3 tp10 -59.22 -46.03 89.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 31.1 mt-10 -59.28 -46.48 88.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.6 -40.58 92.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.774 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.3 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 67.6 mm-40 -62.97 -36.53 83.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.689 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 54.6 mtpt -61.6 -44.61 96.69 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -62.06 -39.38 92.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -61.12 -42.39 98.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.24 -41.24 94.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.499 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.0 mt -64.8 -45.04 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.67 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -72.06 -36.2 69.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.6 -31.59 70.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -59.88 -32.13 70.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.675 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.01 162.52 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 64.7 12.53 7.67 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.16 0.584 . . . . 0.0 111.481 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.34 116.09 28.31 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.396 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 125.98 25.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.06 -27.37 68.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -59.19 -42.39 90.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.189 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.51 -40.64 73.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.7 99.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.4 -43.28 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.97 -45.4 89.26 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.804 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -73.84 -39.97 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.556 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.08 -44.65 96.96 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.778 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 18.6 t70 -61.76 -40.84 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.608 0.242 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.19 -39.79 94.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -66.97 -43.42 83.1 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.516 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 87.3 t -60.93 -39.37 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 80.3 mm-40 -62.74 -35.41 79.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.182 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -66.19 -39.75 89.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.1 -43.52 78.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.397 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 14.1 mm100 -62.98 -45.04 94.28 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.208 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 74' ' ' ARG . 3.3 tpm_? -59.87 -43.13 94.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.195 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 79' ' ' ILE . 74.9 t80 -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -64.26 -42.72 96.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.52 -39.76 89.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.394 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.42 90.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 75' ' ' PHE . 64.0 mt -68.46 -43.35 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.314 0.578 . . . . 0.0 109.668 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.51 -37.16 84.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.335 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -13.33 57.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.042 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.66 30.92 65.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.959 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.21 97.04 7.18 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.825 0.345 . . . . 0.0 110.707 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 17.0 pttp -68.43 -25.42 65.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.317 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -48.63 78.95 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.552 0.215 . . . . 0.0 111.161 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.546 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 12.1 p -70.99 -36.19 72.39 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.583 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 84' ' ' LYS . 84.7 mt -59.49 -44.28 93.11 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 84.9 mt-10 -58.32 -45.57 87.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.28 -40.11 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.841 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 86' ' ' SER . 91.9 mt -63.11 -36.2 82.79 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.626 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.52 -37.04 74.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.716 0.294 . . . . 0.0 111.419 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.85 -45.44 67.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.2 -36.11 74.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.67 -45.5 93.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.811 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.7 tt0 -59.13 -41.18 87.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.818 0.342 . . . . 0.0 110.79 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -63.8 -36.13 82.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.46 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -61.69 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 13' ' ' LEU . 3.4 mm? -63.32 -37.27 86.61 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.948 177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 74.4 mm-40 -64.49 -41.81 96.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.19 -44.71 95.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.406 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 97' ' ' ALA . 80.5 mt -61.9 -45.79 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.351 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.482 ' HE ' ' CD ' ' A' ' 106' ' ' GLU . 53.6 ttt180 -60.86 -36.4 79.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.8 mt-10 -60.41 -40.62 91.63 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.704 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.51 -37.58 80.17 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.011 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.07 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.015 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.545 ' OE2' ' HG3' ' A' ' 7' ' ' ARG . 57.1 mt-10 -91.25 -22.45 20.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.736 0.303 . . . . 0.0 111.548 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt . . . . . 0 C--N 1.318 -0.789 0 CA-C-O 120.969 0.414 . . . . 0.0 110.862 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.261 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' HG ' HH11 ' A' ' 53' ' ' ARG . 6.7 tt -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -66.84 -42.04 86.42 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 76.2 mm-40 -64.34 -44.27 92.02 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.674 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -60.73 -42.63 97.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.796 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.26 -40.68 92.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 15.1 t70 -65.23 -46.34 81.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.9 mt-10 -65.06 -35.26 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.35 -43.83 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.1 -38.38 80.73 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.306 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 98.6 mt-30 -60.08 -37.86 81.16 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.38 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.369 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -68.55 -38.92 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -63.72 -38.48 91.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.844 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' NH1' HG22 ' A' ' 35' ' ' VAL . 12.4 ttm180 -66.82 -38.41 86.4 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 tp -61.48 -39.19 90.01 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.03 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -60.75 -41.36 95.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.196 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.2 mm-40 -63.85 -43.75 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.093 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.439 ' CD1' HG21 ' A' ' 35' ' ' VAL . 72.1 mt -62.36 -40.73 89.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.295 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.39 -39.69 88.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.74 -34.08 77.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.321 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 66.7 mmtt -89.49 -17.11 29.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 27.2 67.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.378 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.3 t70 -86.09 93.3 8.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.171 0.51 . . . . 0.0 110.889 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.75 -29.31 69.81 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -66.38 -50.63 62.83 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 p -71.77 -30.2 65.31 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.07 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -58.89 -46.49 87.73 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.57 -39.99 93.14 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.04 0.447 . . . . 0.0 110.837 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.34 -45.12 77.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.83 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG22 ' NH1' ' A' ' 19' ' ' ARG . 67.5 t -64.06 -35.11 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.8 mt -60.59 -36.37 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 177.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -40.9 93.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.669 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.9 mt-10 -62.67 -45.63 91.92 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.522 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.5 mt -59.62 -39.98 80.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.342 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.76 -45.21 94.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.564 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.54 -43.64 89.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.931 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 92.0 mt -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.2 mt -60.5 -40.94 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -64.95 -47.62 76.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.72 -44.38 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' HH22 ' A' ' 53' ' ' ARG . 53.2 t-80 -62.42 -36.99 84.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.351 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 47' ' ' ARG . 11.8 ttp180 -62.61 -43.45 98.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.708 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -66.39 -39.43 89.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 0.0 110.327 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.28 -33.8 76.06 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.057 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.38 -36.49 76.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 26.2 t0 -64.46 -39.27 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.08 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -74.68 -33.15 62.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.758 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.491 HH22 ' CD2' ' A' ' 46' ' ' HIS . 89.0 mtm180 -75.41 -37.82 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.696 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -140.83 -78.48 0.28 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.66 140.53 0.35 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.108 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -160.54 90.83 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.002 0.429 . . . . 0.0 111.367 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.93 149.44 28.21 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.65 0.262 . . . . 0.0 111.0 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 m -60.51 -42.34 96.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.05 -44.92 60.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.49 96.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.84 86.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.666 0.27 . . . . 0.0 111.693 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -72.56 -44.91 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.92 -33.88 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.11 0.481 . . . . 0.0 110.77 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -34.32 87.72 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.825 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.94 -40.76 90.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.659 0.266 . . . . 0.0 110.808 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.42 -38.13 71.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 71' ' ' LEU . 73.3 t-105 -65.98 -45.94 79.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.29 -38.07 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.26 -29.6 70.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.729 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' TRP . 50.3 tp -61.95 -40.46 95.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -67.53 -37.99 83.55 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.116 0.484 . . . . 0.0 109.982 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.61 -41.78 92.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.117 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -65.91 -36.71 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.665 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.8 t80 -60.26 -46.36 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.519 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -61.69 -42.72 99.32 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.4 -44.94 95.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.718 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.28 93.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -65.17 -45.33 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.054 177.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -36.85 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.092 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -77.94 -14.86 59.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.574 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.37 31.31 71.34 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.561 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.8 t70 -94.39 96.64 9.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.023 0.44 . . . . 0.0 110.328 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HD3' HD12 ' A' ' 87' ' ' LEU . 75.6 mmtt -66.39 -28.66 68.8 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.886 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.42 -49.31 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.446 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 20.2 m -65.9 -34.76 78.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.19 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.5 mt -59.64 -48.28 82.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.794 0.331 . . . . 0.0 110.714 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.22 -44.78 94.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.38 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.87 -39.2 93.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.611 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.8 mt -65.06 -36.86 85.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.48 -35.84 82.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.71 -44.86 88.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.96 -42.95 99.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.992 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 61.6 tp -61.48 -43.49 98.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.78 -46.91 86.44 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.596 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.01 -41.14 87.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.904 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.18 -42.92 99.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.8 mt -63.15 -36.99 85.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 110.397 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 44.7 tt0 -63.04 -45.23 93.21 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.555 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.2 mt -60.6 -44.23 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 39.6 mtm180 -61.63 -43.94 97.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.181 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 9.6 mm-40 -61.08 -41.26 96.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.84 -35.1 67.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.98 0.419 . . . . 0.0 110.656 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB1' ' NH1' ' A' ' 53' ' ' ARG . . . -68.03 -28.52 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.075 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.47 -2.02 58.24 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.583 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt . . . . . 0 N--CA 1.471 0.604 0 C-N-CA 123.884 0.874 . . . . 0.0 110.698 -178.028 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.73 -29.5 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.222 0.534 . . . . 0.0 109.619 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -61.59 -38.91 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -67.79 -45.39 74.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 86.8 m -70.52 -41.31 72.74 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.563 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 -45.17 96.39 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 t70 -67.51 -35.79 79.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.015 0.436 . . . . 0.0 110.059 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.48 -39.25 83.12 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 9' ' ' THR . 51.2 mt -62.53 -46.25 89.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.5 t -60.2 -40.36 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 74.9 mm-40 -62.16 -43.49 98.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.963 0.411 . . . . 0.0 110.276 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.82 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.896 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 94' ' ' LEU . 29.0 m-85 -66.28 -37.81 86.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.332 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 76.7 mt-30 -60.96 -43.28 98.99 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 22' ' ' GLU . 26.9 mmt180 -65.22 -38.93 91.97 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.47 -43.67 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.305 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -65.46 -38.7 90.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 51.5 mt-10 -60.48 -44.14 96.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.8 mt -65.08 -39.25 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.467 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -64.7 -46.73 81.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.59 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.129 0.49 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 28' ' ' ASP . 71.5 tttt -77.77 -17.88 57.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.162 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 26.31 59.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.768 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 7.6 t70 -98.29 92.41 5.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.25 -40.34 74.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.58 -46.61 87.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.3 m -70.84 -33.25 70.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.407 178.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.9 tp -60.95 -46.43 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.774 -177.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -40.11 93.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.405 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.96 -39.68 83.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.631 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 31' ' ' SER . 90.7 t -62.51 -32.99 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.555 177.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.1 mt -59.28 -36.5 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.183 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 27.3 mt-10 -67.35 -36.41 81.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.124 0.488 . . . . 0.0 109.959 177.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.8 mt-10 -64.3 -39.99 95.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.7 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.3 mm -59.53 -38.0 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.296 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' A' ' 37' ' ' GLU . 43.7 mt-10 -58.28 -45.76 87.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -65.26 -40.73 94.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.3 mt -61.33 -46.34 96.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.067 0.461 . . . . 0.0 110.175 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 52.8 tt0 -67.64 -36.71 81.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.212 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.13 -42.49 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.606 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.1 -38.66 89.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.133 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -67.34 -32.4 73.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.0 mt-30 -61.38 -44.17 97.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.58 -34.64 76.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.37 -40.34 97.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.92 -39.59 72.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -66.02 -41.42 90.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.309 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -75.54 -38.56 59.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.176 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 62.2 90.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.469 0.652 . . . . 0.0 110.007 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -110.0 98.52 7.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.292 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.54 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.711 0.805 . . . . 0.0 112.977 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 59' ' ' THR . . . -153.61 129.97 10.55 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.836 0.351 . . . . 0.0 111.658 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.05 -33.5 75.58 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.097 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.434 HG22 ' HB1' ' A' ' 57' ' ' ALA . 11.3 t -58.15 -28.26 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.716 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.38 -44.67 62.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.17 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.61 73.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.158 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.67 -43.11 66.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.885 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -68.98 -44.52 72.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.734 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.53 -30.23 65.68 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.38 -36.07 92.58 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.904 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.38 -40.96 96.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.215 0.531 . . . . 0.0 109.837 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -67.51 -42.46 82.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.043 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.54 -49.59 68.35 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.194 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' GLY . 95.8 t -61.69 -38.87 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.29 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.79 -43.68 98.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.227 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -63.34 -41.7 98.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 48.8 mt-30 -62.33 -38.91 91.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.008 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -59.34 -40.18 85.55 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 110.426 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.51 -42.58 98.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.121 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -65.92 -42.82 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 58.4 mm-40 -61.02 -42.89 99.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.29 94.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 36' ' ' LEU . 95.2 mt -66.06 -42.32 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.043 0.449 . . . . 0.0 110.35 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.08 -33.05 74.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 66.1 mttm -89.09 -5.72 57.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.82 30.6 70.32 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.748 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -94.79 96.65 9.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.01 0.433 . . . . 0.0 109.838 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.56 -33.54 71.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.855 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.24 -45.25 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.746 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.523 ' O ' HD23 ' A' ' 90' ' ' LEU . 31.6 m -63.03 -34.26 77.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.0 mt -59.08 -43.68 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -42.53 95.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.039 0.447 . . . . 0.0 110.033 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -62.77 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.275 0.56 . . . . 0.0 109.7 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 86' ' ' SER . 3.0 mm? -63.13 -45.57 91.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.806 177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 97.0 mt -61.67 -35.5 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.22 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.96 -44.86 88.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.11 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.69 -37.58 88.07 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.062 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.414 HD21 ' CD2' ' A' ' 17' ' ' PHE . 53.5 tp -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.941 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.59 -45.51 92.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.208 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.11 -37.3 86.96 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.18 86.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.325 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.17 -36.42 83.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 5.6 tp-100 -63.13 -44.11 96.49 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.832 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.39 -46.43 90.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.752 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.41 -42.25 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.631 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 6.4 tpt180 -60.89 -41.61 96.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 10.8 mm-40 -59.75 -44.87 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.61 -33.78 64.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.318 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.22 61.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 58.4 mm-40 -73.32 -24.46 60.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.106 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 N--CA 1.477 0.887 0 O-C-N 123.692 0.62 . . . . 0.0 111.722 -178.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.19 -37.56 66.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.837 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -63.08 -34.29 77.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.387 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 53.7 tt0 -61.06 -44.51 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.393 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -65.76 -38.91 90.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.72 -39.7 95.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.557 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.23 -38.54 91.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 78.9 mm-40 -60.62 -40.68 92.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.84 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.95 -43.32 98.87 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.489 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' HA ' HD13 ' A' ' 98' ' ' LEU . 58.0 t -58.95 -45.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.246 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.26 -46.09 85.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.54 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.56 95.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 98' ' ' LEU . 31.9 m-85 -67.7 -39.45 84.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.51 -38.14 86.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 23' ' ' ILE . 28.9 ttt180 -62.4 -41.81 98.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.304 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.56 -44.95 95.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -62.66 -43.81 97.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.743 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 40.2 mt-10 -61.3 -43.2 99.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 28' ' ' ASP . 94.7 mt -65.18 -40.86 90.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.994 0.426 . . . . 0.0 110.292 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -60.72 -41.71 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.767 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.92 -31.5 72.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.821 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 62.6 mtpt -78.21 -13.04 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.16 27.01 64.94 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.507 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 10.1 t70 -97.38 92.62 6.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.185 0.517 . . . . 0.0 110.143 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.558 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.8 -50.89 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.307 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.5 m -71.71 -30.17 65.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.957 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -59.28 -47.17 86.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.723 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.64 -37.82 87.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.985 0.421 . . . . 0.0 110.691 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 mm100 -62.12 -40.41 95.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.507 ' O ' HG12 ' A' ' 39' ' ' ILE . 51.3 t -69.28 -36.18 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.0 mt -60.3 -40.8 91.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.39 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.401 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 52.7 mt-10 -62.14 -42.42 99.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.315 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 35' ' ' VAL . 43.7 mm -59.69 -40.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.613 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 47.1 mt-10 -60.56 -40.65 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -178.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.7 tp10 -70.0 -42.3 73.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.176 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.7 mt -61.36 -43.55 98.68 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 89.9 mt -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -62.15 -40.75 97.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.009 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 61.0 mtpt -64.25 -44.02 93.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.357 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 78.8 mtp180 -61.33 -41.78 97.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.268 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.69 -44.03 97.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.08 -42.02 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.341 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -66.41 -43.27 86.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.078 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.73 -31.25 71.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 110.728 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -78.91 -25.95 43.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -61.02 -38.67 86.89 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.984 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -152.85 132.12 12.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.042 0.449 . . . . 0.0 110.726 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.12 163.22 14.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.03 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 67.44 23.36 9.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.634 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.77 25.08 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.953 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.45 -38.64 84.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.479 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 t -64.51 -39.35 93.63 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.738 0.304 . . . . 0.0 111.449 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -71.65 -39.64 70.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.212 0.53 . . . . 0.0 109.878 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.86 76.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.297 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.76 71.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.721 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.66 -44.34 96.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -74.74 -43.16 56.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -46.7 66.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.234 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.778 0.289 . . . . 0.0 111.549 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.92 -43.98 86.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -68.8 -47.93 64.88 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.472 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 72.6 t -61.26 -44.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.639 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 52.5 tt0 -65.88 -40.89 92.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.447 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.21 -40.26 95.5 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.011 0.434 . . . . 0.0 109.952 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -65.97 -40.68 91.47 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.784 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.48 -35.54 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.314 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 44.3 mmm-85 -63.78 -35.6 81.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 79' ' ' ILE . 73.5 t80 -61.32 -44.44 97.19 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.414 HH12 ' CD ' ' A' ' 40' ' ' GLU . 28.2 ttm180 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.011 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.88 -43.7 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.99 81.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.399 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 75' ' ' PHE . 37.2 mm -65.97 -46.63 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.323 0.582 . . . . 0.0 109.865 176.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.98 -36.9 85.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.367 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -87.21 -13.61 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 30.62 61.61 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.412 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.0 t70 -88.31 87.68 7.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.245 0.545 . . . . 0.0 109.853 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' A' ' 87' ' ' LEU . 65.6 tttp -66.63 -26.17 66.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.864 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.05 -48.75 80.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.1 m -71.48 -34.61 70.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.707 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.8 mt -59.5 -45.01 92.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.564 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 68.5 mm-40 -57.24 -44.11 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 0.0 110.775 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -69.6 -47.29 64.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.123 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 86' ' ' SER . 96.1 mt -62.21 -36.8 83.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.094 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 86.1 mt -58.9 -42.34 89.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.36 -44.95 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.22 -44.35 92.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -63.61 -44.27 94.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.16 -39.63 94.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.93 -42.12 85.87 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.05 -36.93 83.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.5 mt -62.15 -35.19 78.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.21 -44.38 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 66.2 mttm -64.83 -40.55 95.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 97' ' ' ALA . 75.9 mt -60.01 -43.5 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.316 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -62.5 -39.4 93.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.31 -42.82 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -63.94 -29.1 70.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.94 -15.01 63.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -91.68 -2.65 56.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.521 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mttp . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.14 -35.82 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.988 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HD3' ' OE2' ' A' ' 106' ' ' GLU . 12.4 mmm180 -62.63 -45.21 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.63 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.34 -40.86 73.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.4 m -61.02 -39.7 90.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.015 0.436 . . . . 0.0 110.12 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.9 -40.29 97.13 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.27 176.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 28.9 t70 -63.17 -41.56 99.25 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.511 0.196 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.33 -42.02 90.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.91 -48.3 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.471 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' GLY . 84.6 t -58.96 -44.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.61 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 12.9 mm100 -61.59 -43.79 98.2 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.884 0.374 . . . . 0.0 110.635 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.75 87.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.659 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.4 m-85 -63.41 -37.44 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.146 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 98.4 mt-30 -61.0 -44.57 97.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.306 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 23' ' ' ILE . 61.6 mtm-85 -69.94 -35.25 74.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.396 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.3 -38.59 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.562 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' HG2' HD13 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.53 -45.93 87.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.569 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 49.3 mt-10 -69.7 -45.51 68.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.505 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.1 mt -59.62 -44.75 94.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.992 0.425 . . . . 0.0 110.382 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 87' ' ' LEU . 22.4 t80 -64.11 -45.62 87.8 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.227 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.51 -32.89 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 34.1 mmtp -78.28 -8.78 58.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.627 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 26.88 70.77 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.951 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.84 91.9 8.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.59 -26.28 64.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.15 -51.38 69.97 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.0 m -74.51 -35.11 63.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 28.0 tp -60.41 -47.43 86.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.458 -173.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.82 -43.68 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 111.741 -178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -68.72 -40.05 80.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.75 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 31' ' ' SER . 86.8 t -65.79 -36.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.365 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.1 mt -59.85 -40.56 88.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.033 0.444 . . . . 0.0 110.296 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.9 -38.73 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.354 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.9 mm-40 -60.69 -43.86 97.25 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' ILE . 92.3 mt -61.34 -38.26 79.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.25 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.566 ' HG2' HE22 ' A' ' 44' ' ' GLN . 26.2 tt0 -61.96 -42.56 99.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.64 -37.8 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.578 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 50.7 mt -67.51 -39.54 85.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.691 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -61.04 -35.49 65.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.795 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.566 HE22 ' HG2' ' A' ' 40' ' ' GLU . 1.1 mp0 -60.8 -35.65 77.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.899 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.01 -44.84 96.82 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -60.64 -44.66 96.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.07 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 32.8 mtt180 -60.51 -42.33 96.17 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.124 0.488 . . . . 0.0 110.15 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.07 -44.31 72.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.568 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.99 -37.72 84.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.279 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -63.33 -45.2 92.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.448 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 8.4 t70 -65.44 -40.52 93.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.525 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -70.81 -42.93 69.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.251 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -62.85 -37.62 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 0.0 111.545 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 25.2 mt-30 -81.31 -74.9 0.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.914 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 5.8 tp10 176.58 -68.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.08 93.49 2.45 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.45 ' HB1' ' CG ' ' A' ' 60' ' ' GLU . . . -135.39 29.02 3.33 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.882 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.4 m -72.19 -43.51 64.42 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.625 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' CG ' ' HB1' ' A' ' 57' ' ' ALA . 9.5 pt-20 -73.83 -31.35 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.058 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.15 86.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.64 91.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.687 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -66.01 -36.57 83.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -63.49 -43.01 98.47 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -69.31 -40.94 80.34 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.487 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 15.7 t70 -61.56 -41.52 97.49 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.751 0.42 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.03 -38.25 90.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.936 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -68.27 -36.69 79.78 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.672 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -62.22 -37.9 79.71 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.853 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 78.4 mt-30 -62.55 -31.83 72.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.81 -41.87 78.05 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.11 -34.07 77.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.301 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -60.02 -44.9 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.56 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.39 -44.6 92.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.864 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.5 t80 -64.17 -42.54 96.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.719 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 41.7 mt-10 -65.94 -38.81 89.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -35.85 78.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.745 0.307 . . . . 0.0 110.457 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 73.9 mt -65.69 -39.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.01 -36.99 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 58.5 mmtt -82.56 -12.99 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.535 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.98 73.31 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.243 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -96.85 96.37 8.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 110.53 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.0 tttp -68.9 -27.11 65.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.346 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.67 -49.26 78.43 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.37 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 29.7 t -69.49 -34.97 75.1 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 84' ' ' LYS . 67.6 mt -61.66 -46.08 91.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.389 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 20.7 mm-40 -61.35 -42.17 98.26 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.16 0.505 . . . . 0.0 109.783 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -62.16 -42.75 99.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.549 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.5 mt -60.82 -36.65 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD13 ' HG2' ' A' ' 21' ' ' ARG . 86.8 mt -64.52 -37.68 88.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.619 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.16 -45.03 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.22 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 109.626 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.659 HD21 ' CD2' ' A' ' 17' ' ' PHE . 60.3 tp -59.82 -45.38 92.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.38 -39.69 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.033 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -61.72 -39.93 93.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.927 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.88 -37.74 84.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.657 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 91.6 mt -62.89 -38.87 92.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.087 0.47 . . . . 0.0 110.176 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -62.73 -44.52 95.99 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.43 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -61.73 -41.73 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 97' ' ' ALA . 73.6 mt -63.21 -47.4 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.394 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 56.5 mtm180 -62.34 -46.64 87.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.72 -176.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.1 mt-10 -65.55 -44.12 87.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.822 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.17 -41.67 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.43 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.487 ' OE2' ' HD3' ' A' ' 7' ' ' ARG . 15.8 tt0 -91.75 -24.52 19.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 111.278 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.0 tttm . . . . . 0 C--N 1.315 -0.892 0 CA-C-O 121.358 0.599 . . . . 0.0 111.804 -175.691 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.48 -32.77 66.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.049 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.61 -44.53 96.08 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.96 -38.57 86.34 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.232 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.5 m -60.73 -47.01 88.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.692 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.23 -40.29 92.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.875 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.32 -43.07 92.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 111.083 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.59 -34.6 75.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.732 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.43 -41.7 90.16 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.4 t -63.35 -45.67 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.821 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.64 -38.2 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.741 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.2 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.58 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD2' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -67.39 -36.88 82.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.6 mm-40 -60.67 -42.71 97.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 19' ' ' ARG . 11.6 mmt180 -66.68 -35.29 79.78 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.352 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.55 -39.0 89.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.442 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 -62.54 -39.94 95.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.055 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.27 -46.46 90.28 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.98 0.419 . . . . 0.0 110.424 177.086 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.69 -44.42 99.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -61.83 -40.33 94.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.47 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.47 -34.58 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 29.0 mtpp -77.7 -16.82 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.47 26.11 66.41 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.408 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.73 92.6 9.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.6 -35.49 78.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.819 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.61 -51.13 71.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.293 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.1 m -72.48 -35.12 68.13 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 26.4 tp -61.36 -48.27 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.505 -175.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.46 -42.16 88.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.367 -0.379 . . . . 0.0 112.007 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -66.37 -41.71 89.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.945 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 31' ' ' SER . 69.0 t -62.29 -32.38 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.389 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.6 mt -58.3 -39.6 79.8 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.38 -42.28 83.63 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.359 0.6 . . . . 0.0 109.921 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.67 -40.65 97.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.384 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.8 mt -61.32 -40.0 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 178.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.9 -37.75 88.68 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.951 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -42.13 90.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.25 0.548 . . . . 0.0 109.622 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.07 -40.42 82.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.631 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.1 mt -61.09 -41.77 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.249 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.34 -37.01 84.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.006 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -63.41 -43.72 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.894 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.05 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.629 ' NH2' HE22 ' A' ' 64' ' ' GLN . 3.8 mmp_? -61.59 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.26 -45.08 70.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 98.1 mt -73.92 -50.56 19.56 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -74.04 -49.06 25.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.3 m-20 -66.95 -24.66 66.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.71 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.67 -41.69 95.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' LEU . 10.7 mpt_? -75.44 -31.24 60.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.478 -177.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 67.84 -77.34 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.364 0.665 . . . . 0.0 111.625 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 71.04 -55.98 0.64 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.204 1.002 . . . . 0.0 111.383 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.54 -169.47 1.85 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.436 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.8 150.87 47.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.471 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.86 -37.52 84.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.394 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.5 m -66.05 -38.3 88.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.89 -40.37 72.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 109.815 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.96 68.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -64.68 -39.87 94.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.629 HE22 ' NH2' ' A' ' 47' ' ' ARG . 4.9 pp0? -63.16 -35.84 81.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.554 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.602 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.76 -41.72 63.01 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.34 -41.46 93.64 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.212 0.605 . . . . 0.0 111.717 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.38 -38.41 87.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -68.0 -39.92 83.11 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.9 t -60.84 -38.75 79.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.43 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.23 -43.09 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.158 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.59 -43.76 84.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.07 -43.28 99.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -62.68 -45.49 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.3 -38.04 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.5 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.627 ' HA ' HD13 ' A' ' 90' ' ' LEU . 70.1 t80 -66.44 -46.87 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.271 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.567 ' NH1' ' HA ' ' A' ' 77' ' ' GLU . 4.5 tmm_? -63.62 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.08 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 6.5 tp10 -60.69 -46.12 91.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.881 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.57 84.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.6 mt -65.95 -44.68 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.191 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -77.76 -14.82 59.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.29 31.59 71.71 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.678 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.9 t70 -100.92 96.9 7.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.145 0.498 . . . . 0.0 111.299 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -67.21 -25.18 65.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.198 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.4 -49.08 78.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -71.16 -36.86 72.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.557 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 92.6 mt -59.4 -45.13 92.35 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.421 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.25 -41.15 96.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.58 -40.99 72.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.416 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.627 HD13 ' HA ' ' A' ' 75' ' ' PHE . 39.8 mt -60.64 -34.78 74.78 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.154 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.8 mt -58.02 -39.67 78.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.933 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.79 -44.52 66.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.1 -40.7 98.41 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.009 0.433 . . . . 0.0 110.4 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 54.7 tp -63.99 -45.16 90.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.1 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -56.25 -47.86 77.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.439 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -66.98 -39.15 87.12 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -63.21 -41.08 99.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.7 mt -62.96 -44.08 97.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.663 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 77.1 mt-30 -65.81 -40.18 91.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.777 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 85.1 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.7 mt -62.35 -46.19 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.684 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 57.5 ttp180 -63.59 -40.17 96.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.304 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 7.2 tp10 -61.18 -38.48 86.68 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 123.185 0.594 . . . . 0.0 110.336 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 93.5 mt -70.05 -41.32 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.56 -28.14 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.9 mt-10 -83.74 -2.41 56.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.2 tttp . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 111.198 179.533 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tptt . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.71 -34.92 76.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.259 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -61.75 -45.14 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.495 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.74 -39.22 73.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -64.2 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.498 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.61 95.53 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.116 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.259 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' HA ' HE21 ' A' ' 15' ' ' GLN . 10.6 tp10 -60.95 -37.19 81.51 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.771 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.96 -44.35 94.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.207 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 62.8 t -66.51 -48.08 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.541 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.514 HE21 ' HA ' ' A' ' 12' ' ' GLU . 23.1 pt20 -68.27 -38.75 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.816 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.0 93.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -67.4 -38.28 84.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.493 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 78.4 mm-40 -61.52 -40.76 95.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 19' ' ' ARG . 7.8 ttp180 -61.99 -37.22 84.01 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.72 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -65.28 -39.11 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 49.6 mt-10 -65.66 -45.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 35' ' ' VAL . 66.6 mt -66.41 -38.45 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.006 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.99 -39.63 86.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.006 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.07 -33.85 76.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.771 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 65.4 mttm -79.82 -18.25 51.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.24 26.97 64.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.313 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' HB3' HG23 ' A' ' 23' ' ' ILE . 12.6 t70 -88.12 94.77 9.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.049 0.452 . . . . 0.0 110.584 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.1 -43.47 82.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.814 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.33 -51.4 70.11 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 111.811 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.9 m -71.35 -32.56 68.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.69 -45.62 93.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.676 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.32 -40.34 97.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.49 -47.06 87.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 23' ' ' ILE . 50.8 t -62.77 -35.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.908 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.93 -42.78 94.7 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.605 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 48.9 mt-10 -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.633 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.645 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.4 mt -64.43 -38.88 83.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.537 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.87 -39.26 90.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.446 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -62.3 -43.97 97.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.8 mt -63.17 -40.19 96.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 39' ' ' ILE . 69.5 mt -60.35 -41.88 88.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.46 -46.77 72.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.356 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 63.3 mttp -61.87 -44.16 97.38 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.605 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -58.18 -47.78 82.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -68.13 -43.49 78.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -69.05 -40.93 78.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.5 mt -61.59 -41.69 97.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -73.88 -44.88 53.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.685 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.0 -36.86 84.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.407 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -68.7 -43.9 75.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.423 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -76.06 -41.15 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 62.01 122.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.392 0.615 . . . . 0.0 111.998 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -134.45 -54.96 0.84 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.39 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.59 0.66 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.109 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.87 33.96 22.61 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -61.54 -42.27 98.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.953 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 m -65.28 -42.18 93.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.1 -43.94 70.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.64 91.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 5.5 tmtm? -70.0 -37.16 75.6 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -63.17 -41.31 99.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.79 -35.13 89.21 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.24 -40.92 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.043 0.537 . . . . 0.0 110.733 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -66.82 -35.82 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.166 0.508 . . . . 0.0 109.859 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.451 ' HE1' HG12 ' A' ' 43' ' ' ILE . 50.9 t-105 -63.42 -36.63 84.35 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.084 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 65' ' ' GLY . 65.3 t -62.55 -39.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.979 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.72 -39.16 93.2 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.09 -45.97 91.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.847 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -69.14 -39.11 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.648 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 62.4 tt0 -63.83 -43.22 96.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.124 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -61.72 -38.4 87.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 79' ' ' ILE . 75.5 t80 -61.23 -42.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.637 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -60.19 -45.11 94.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.76 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 52.1 mt-10 -62.63 -39.59 94.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.109 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.2 90.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 75' ' ' PHE . 72.0 mt -67.21 -40.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.245 0.545 . . . . 0.0 109.869 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.1 -37.58 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.281 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -84.28 -13.5 52.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.855 0.36 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.61 59.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.5 t70 -94.1 94.83 8.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.189 0.518 . . . . 0.0 110.283 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.09 -25.31 62.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.576 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.57 -48.28 82.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.3 m -65.64 -37.92 87.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 86.4 mt -59.91 -44.79 94.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.199 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -58.39 -43.15 88.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.595 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.92 -46.55 65.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 94' ' ' LEU . 95.3 mt -61.44 -36.48 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.478 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 81.9 mt -57.26 -39.42 75.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.624 0.25 . . . . 0.0 111.431 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.99 -42.57 69.46 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.728 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.37 -42.39 83.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.405 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 90' ' ' LEU . 10.6 mp -62.15 -38.7 90.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.966 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.84 -40.46 84.29 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.987 0.423 . . . . 0.0 111.017 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.34 -40.22 89.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.654 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.55 -37.77 85.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.52 -34.0 76.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.581 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.503 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 62.7 tt0 -63.81 -45.49 89.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.84 -42.29 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.486 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 97' ' ' ALA . 83.1 mt -61.74 -44.97 99.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.736 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttp-105 -63.01 -37.04 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.915 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 20.0 mm-40 -61.46 -39.3 90.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.372 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.78 -40.78 75.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.485 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.44 66.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.656 178.572 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.01 -35.53 66.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.82 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -70.62 -33.21 70.76 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.976 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 17.7 tm0? -60.05 -37.33 79.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.463 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m -61.53 -44.38 97.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.88 -38.38 89.08 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.914 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 20.5 t70 -59.03 -38.43 79.29 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.008 0.523 . . . . 0.0 110.793 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 64.3 mm-40 -59.72 -41.22 90.37 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.67 -47.34 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.489 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.38 -46.08 89.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.148 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 15.0 mm100 -62.38 -40.57 96.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.752 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.01 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.572 ' CD2' HD21 ' A' ' 94' ' ' LEU . 39.4 m-85 -67.67 -38.95 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 49.5 tt0 -61.52 -43.62 98.54 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -66.67 -38.74 87.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.099 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.44 -42.85 96.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.767 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 91' ' ' LEU . 49.4 ttt180 -63.75 -41.68 97.97 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.29 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 61.9 mt-10 -62.41 -45.45 93.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.617 178.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.12 -41.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.672 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -64.49 -39.84 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.252 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.64 -34.41 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.332 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.45 -17.44 56.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.293 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.97 72.31 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.988 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.02 93.64 9.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 110.547 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.8 -26.95 68.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.799 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.19 -51.38 66.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -72.29 -32.77 66.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.7 tp -60.63 -45.7 93.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.512 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.62 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.959 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 78.2 mt-30 -63.63 -46.56 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.668 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -62.78 -35.39 70.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.198 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -59.96 -36.63 77.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.941 0.4 . . . . 0.0 110.281 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.53 -37.65 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.105 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 34' ' ' GLN . 5.6 mm-40 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.468 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 35' ' ' VAL . 91.6 mt -59.71 -37.28 70.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.294 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.64 -40.38 83.23 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.1 -43.42 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.74 -42.24 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 39' ' ' ILE . 92.1 mt -61.01 -45.09 99.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 48.3 tp60 -63.63 -43.83 95.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.881 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -62.64 -37.98 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.22 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -59.83 -41.59 91.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.252 0.549 . . . . 0.0 109.527 177.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 71.4 mtp180 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.681 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.1 mt-30 -61.37 -43.02 99.58 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.704 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.0 -44.87 95.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.578 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -73.92 -37.52 64.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.304 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.39 -39.64 77.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.23 -38.87 71.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.397 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 53' ' ' ARG . 46.8 ttp180 -72.92 -25.04 60.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.704 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 72.03 93.25 0.08 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.074 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -94.27 152.41 18.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.774 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.6 25.02 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.433 0.635 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 60' ' ' GLU . . . -134.1 48.18 2.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.361 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.4 -42.81 99.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -66.58 -29.26 69.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 110.642 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HB3' ' HB1' ' A' ' 57' ' ' ALA . 7.7 tp10 -72.05 -45.05 62.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.84 85.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.352 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.12 99.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.672 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -72.39 -35.95 68.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.827 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -63.59 -43.55 96.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.66 -35.72 86.43 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.548 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -61.1 -44.29 97.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -73.86 -33.34 64.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.115 0.483 . . . . 0.0 110.637 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -66.29 -48.4 70.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.835 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.53 -38.64 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.361 . . . . 0.0 110.263 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -61.66 -38.25 87.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.961 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.328 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.35 -41.93 84.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.81 -45.19 94.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.487 . . . . 0.0 109.839 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -59.75 -42.94 94.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.19 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.613 ' HA ' HD13 ' A' ' 90' ' ' LEU . 74.7 t80 -65.12 -44.51 88.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.671 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -64.07 -44.46 92.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.015 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.35 -39.46 94.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.263 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.01 81.6 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 110.579 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.464 HD11 ' CE2' ' A' ' 75' ' ' PHE . 74.0 mt -66.42 -44.97 90.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.916 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.56 -35.22 79.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -76.97 -14.44 59.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.95 27.92 71.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.492 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.65 96.07 7.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.087 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 87' ' ' LEU . 61.9 mttp -71.06 -25.92 62.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.458 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.19 -45.97 91.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -65.87 -37.77 87.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.963 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.62 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.9 mt -60.93 -40.25 92.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.454 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.16 -39.44 86.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.456 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -69.24 -40.89 77.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.613 HD13 ' HA ' ' A' ' 75' ' ' PHE . 14.5 mt -61.02 -37.27 81.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.422 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.5 mt -59.75 -40.51 88.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.988 0.423 . . . . 0.0 110.596 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 36.0 mm-40 -70.01 -44.76 68.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.597 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.56 -34.99 79.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 17' ' ' PHE . 67.4 tp -62.71 -45.13 94.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.968 176.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.45 -41.4 94.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.087 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 94.1 mt-30 -65.66 -37.68 87.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -39.9 89.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.3 mt -63.44 -32.52 73.98 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.19 -42.4 93.64 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.427 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 60.2 mttm -67.18 -42.04 84.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.8 mt -60.24 -45.69 95.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.073 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 23.3 ttp180 -60.6 -46.38 90.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 6.0 mm-40 -60.77 -42.33 97.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.195 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 -41.81 62.88 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.9 -30.65 62.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.52 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 2.1 pt-20 -92.11 -21.74 20.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.642 -0.823 . . . . 0.0 112.029 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.52 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 13.6 mptt . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -66.2 -41.49 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -63.75 -38.92 92.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.008 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 57.1 tt0 -61.64 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.148 177.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -64.4 -42.94 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.015 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -60.75 -39.96 97.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.18 -36.58 77.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.729 0.411 . . . . 0.0 110.842 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 45.4 mt-10 -64.35 -43.76 93.57 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.25 -46.94 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.965 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.3 t -57.68 -45.69 86.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.919 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -63.02 -43.59 98.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.201 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.39 84.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.57 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 58.7 m-85 -68.37 -41.97 79.84 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 81.0 mt-30 -67.83 -35.78 79.2 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.445 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 23' ' ' ILE . 54.4 ttt180 -64.71 -37.06 86.31 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 38.1 tp -60.54 -40.13 90.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 56.0 ttp180 -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.047 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -61.77 -42.24 98.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.452 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' ARG . 74.8 mt -65.95 -39.89 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.076 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -62.11 -45.32 93.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.966 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.93 -29.72 68.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -77.32 -14.49 59.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.178 0.514 . . . . 0.0 110.122 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.38 63.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.922 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -98.75 93.34 6.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 117.315 0.558 . . . . 0.0 110.423 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.433 ' HA ' HD12 ' A' ' 32' ' ' LEU . 21.4 t70 -63.64 -34.38 77.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.023 -177.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -49.65 76.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.241 -178.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HB2' HG21 ' A' ' 23' ' ' ILE . 21.3 m -67.53 -31.41 71.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.313 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 63.1 mt -60.37 -47.41 86.17 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.437 0.161 . . . . 0.0 111.064 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -63.49 -39.74 95.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.8 -46.74 88.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' ILE . 93.0 t -67.1 -36.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.4 mt -61.03 -37.86 84.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.309 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.18 -37.43 80.96 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.1 mm-40 -63.94 -38.89 92.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 176.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.1 mm -59.64 -37.51 71.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.74 -44.67 86.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.63 -42.86 91.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.48 . . . . 0.0 109.846 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.7 mt -64.33 -39.97 94.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.06 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 39' ' ' ILE . 68.7 mt -59.87 -46.15 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.86 -35.87 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.516 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.05 -45.76 87.38 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -64.07 -43.27 95.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.813 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -60.89 -43.08 98.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.146 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -68.43 -43.88 76.18 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.353 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.02 -38.2 87.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.885 0.374 . . . . 0.0 111.05 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 20.1 t80 -71.31 -34.15 70.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.03 -40.74 52.78 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.567 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.46 -21.83 66.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 109.833 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 5.1 ttp85 -66.18 -38.05 87.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.422 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 56' ' ' ALA . 48.4 tp60 -165.25 93.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.26 -23.22 63.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.599 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.416 ' HB3' HE21 ' A' ' 54' ' ' GLN . . . -71.33 -12.21 61.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.127 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 35.97 4.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.648 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -20.28 62.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.115 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -58.86 -35.33 72.78 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.282 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 mt-10 -68.23 -40.65 82.0 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.305 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.91 99.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.139 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.33 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.53 -35.66 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.672 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 78.3 mm-40 -65.51 -41.13 93.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 109.978 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.44 -35.94 92.57 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.13 -40.81 95.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -67.18 -42.21 84.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.058 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.404 ' CD1' HG23 ' A' ' 43' ' ' ILE . 6.1 m95 -60.65 -51.13 70.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.296 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.3 t -59.51 -42.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.813 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -62.73 -45.3 93.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.43 -46.71 63.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.775 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.97 -46.22 85.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.826 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.48 -45.34 93.46 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.154 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -65.16 -42.42 93.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.62 0.248 . . . . 0.0 111.332 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.47 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.4 t80 -63.94 -47.93 78.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.847 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -66.69 -37.13 84.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.44 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.3 -47.12 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.78 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.292 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.4 mt -64.68 -47.04 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.855 0.359 . . . . 0.0 110.054 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.49 -31.97 72.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.57 -13.37 59.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.316 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.81 69.5 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.265 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 22.4 t70 -102.68 95.96 6.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 111.138 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 87' ' ' LEU . 63.0 tttp -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.78 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.78 -48.58 79.27 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.027 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.472 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.8 m -71.71 -36.21 70.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.6 mt -59.42 -44.17 92.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.439 -177.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -58.47 -45.36 88.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.954 0.407 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -68.28 -42.84 78.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.0 mt -63.2 -36.24 82.97 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.788 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.72 -44.8 93.59 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.25 -44.46 91.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.096 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.51 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.442 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.51 -46.78 81.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.245 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.93 -39.44 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.973 0.416 . . . . 0.0 110.562 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.81 -36.22 80.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.902 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.53 80.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.96 -41.1 97.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.088 0.471 . . . . 0.0 110.111 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -70.16 -44.47 68.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -61.94 -46.1 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.86 -39.35 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 36.9 ttp180 -62.1 -46.32 89.57 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.262 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -35.31 77.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.246 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.57 -35.72 80.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.043 0.449 . . . . 0.0 110.291 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.4 -28.29 61.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.451 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 41.8 mt-10 -78.61 -23.81 45.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.772 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm . . . . . 0 N--CA 1.469 0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.939 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.6 mttm . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.706 0.288 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 49' ' ' LEU . 68.3 mt -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.6 -36.74 83.34 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.271 0.558 . . . . 0.0 109.629 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -62.19 -33.17 74.03 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.86 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.9 m -60.01 -43.88 94.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.16 -42.89 91.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.153 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.82 -35.32 74.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.44 -47.44 83.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.0 t -60.29 -44.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.298 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.78 -41.83 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.49 96.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 94' ' ' LEU . 54.9 m-85 -64.91 -36.17 83.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.54 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.8 mm-40 -60.57 -42.2 96.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -67.17 -42.92 83.48 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.613 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.54 -38.86 85.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.407 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.23 -45.28 91.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.395 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.01 -44.9 87.68 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 31' ' ' SER . 74.5 mt -62.96 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.37 -39.8 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.87 -23.84 67.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.545 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.05 -12.99 27.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.893 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.75 19.35 77.89 Favored Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 113.421 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 12.2 t70 -87.45 93.19 9.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.099 0.476 . . . . 0.0 110.804 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 32' ' ' LEU . 7.0 p-10 -64.91 -30.51 71.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.153 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.35 -50.15 74.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.008 0.432 . . . . 0.0 110.767 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.47 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 15.2 m -69.73 -31.4 69.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.576 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 mt -60.6 -45.95 92.09 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.89 -36.77 80.09 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -60.92 -47.89 84.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.695 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 39' ' ' ILE . 61.6 t -70.06 -36.5 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.697 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.8 mt -60.52 -36.32 78.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.46 -41.37 84.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.84 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt-10 -62.03 -45.99 91.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.239 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.58 ' O ' HG13 ' A' ' 43' ' ' ILE . 93.4 mt -60.57 -37.83 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.196 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' HH22 ' A' ' 76' ' ' ARG . 11.7 tp10 -58.79 -46.31 87.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.5 -43.62 93.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.18 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.4 mt -61.48 -40.5 94.78 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.082 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 39' ' ' ILE . 71.1 mt -61.66 -46.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.657 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -36.79 81.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.45 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -65.12 -43.02 93.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.329 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.19 -37.07 83.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.515 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -60.65 -36.89 79.82 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.198 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -62.8 -30.7 71.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 6' ' ' LEU . 85.8 mt -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.315 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.09 -31.89 64.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.394 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -74.78 -42.32 58.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.709 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.3 -48.23 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -76.8 -28.79 55.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? 74.21 134.8 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.63 158.23 31.98 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.215 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 115.6 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 62.47 76.22 0.37 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.68 0.613 . . . . 0.0 109.742 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -59.93 -42.32 93.7 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.184 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -58.96 -42.38 89.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 tt0 -74.64 -44.64 49.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.82 91.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.989 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.53 84.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.278 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.9 tptp -71.83 -30.79 65.85 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.122 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 85.3 mm-40 -62.96 -42.73 99.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.33 -35.77 90.71 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.81 -41.52 97.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.801 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.3 mm-40 -65.38 -34.32 78.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.269 0.557 . . . . 0.0 109.65 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.443 ' HE1' HG12 ' A' ' 43' ' ' ILE . 64.0 t-105 -67.47 -41.36 84.73 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.869 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -63.31 -39.86 86.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.69 -42.74 99.79 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.304 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.01 -44.79 95.97 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.923 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -66.74 -42.12 86.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.016 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.67 -43.85 92.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 109.896 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.19 -36.79 75.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.041 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.5 t80 -63.76 -43.58 96.0 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.488 178.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.443 HH22 ' HB2' ' A' ' 40' ' ' GLU . 57.9 mtt180 -62.99 -43.23 99.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.97 -39.7 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.07 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.533 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.5 mt -68.64 -36.95 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.612 176.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.6 -34.71 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.495 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.1 -13.61 58.55 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.72 32.07 73.91 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.5 t70 -101.48 90.82 4.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 87' ' ' LEU . 54.7 mtmt -70.85 -25.46 62.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.86 -49.4 77.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.314 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -71.46 -34.41 70.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.818 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 83.0 mt -59.64 -41.67 91.05 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.291 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.75 -40.38 97.05 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.689 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -68.91 -35.72 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.366 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.7 mt -69.38 -36.35 76.71 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.4 mt -59.59 -35.94 75.29 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.344 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.77 -44.9 84.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 109.865 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -66.67 -40.46 88.6 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.524 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 17' ' ' PHE . 37.0 tp -61.77 -45.97 91.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.904 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.77 -42.79 94.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.51 -36.95 85.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 110.157 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.94 -36.31 83.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.994 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.1 mt -62.05 -32.35 72.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.19 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.18 -40.35 90.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.387 0.613 . . . . 0.0 109.456 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.11 -41.32 77.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.384 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 97' ' ' ALA . 67.3 mt -61.65 -39.09 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.501 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.2 mtm105 -60.53 -35.24 75.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -69.3 -39.85 78.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 110.296 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.52 -30.23 68.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.629 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.43 61.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.182 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.65 -26.19 37.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.7 mttm . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.517 177.027 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -63.8 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.116 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.99 -47.56 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.489 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -70.95 -43.88 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -60.69 -45.19 96.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.138 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.13 -39.31 82.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.773 0.321 . . . . 0.0 110.967 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.06 -39.18 88.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.679 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.3 tp -60.66 -45.46 94.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.986 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 10' ' ' GLY . 58.7 t -61.59 -44.24 98.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 16.1 mm100 -62.64 -45.73 91.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.623 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.77 96.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 22.4 m-85 -62.97 -37.52 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' NE2' HG12 ' A' ' 14' ' ' VAL . 49.8 mt-30 -65.64 -36.52 83.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.69 177.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 64.8 mtt180 -62.11 -35.05 77.55 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.4 tp -60.87 -41.06 95.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.98 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HE ' ' HB2' ' A' ' 21' ' ' ARG . 35.1 mtm180 -65.63 -48.27 72.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.196 0.522 . . . . 0.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -42.18 95.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.107 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 28' ' ' ASP . 61.7 mt -67.39 -38.48 80.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 177.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CZ ' HD13 ' A' ' 87' ' ' LEU . 25.9 t80 -60.6 -43.04 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.608 176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.6 -27.12 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.049 0.452 . . . . 0.0 110.568 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.95 -17.57 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.22 27.53 73.63 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.768 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' HB3' HG23 ' A' ' 23' ' ' ILE . 6.7 t70 -93.59 93.0 7.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.979 0.419 . . . . 0.0 110.752 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.14 -28.84 69.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.398 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.26 -50.67 52.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -68.13 -29.93 68.96 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.21 -38.86 80.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.011 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.81 -39.34 93.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 111.394 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 85.9 mm-40 -63.17 -40.84 98.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.4 t -62.73 -35.64 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.56 -37.83 82.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.266 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.42 -37.67 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.971 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 58.8 mt-10 -65.91 -45.69 81.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.044 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.2 mm -59.74 -37.87 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.375 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.01 -47.38 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.182 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -69.67 -46.37 66.26 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.074 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 75.1 mt -61.51 -40.68 95.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.195 -175.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.92 -46.16 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.629 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -41.63 97.32 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.131 0.491 . . . . 0.0 110.838 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -69.86 -44.26 70.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.78 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -64.94 -38.68 91.77 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.237 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.49 -42.88 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.13 -45.12 82.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 93.3 mt -67.41 -46.55 72.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.9 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.62 -39.31 94.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.744 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.65 -20.36 60.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.9 mmp_? -72.58 -25.36 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -133.95 -158.17 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -149.15 127.13 11.91 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.87 31.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.464 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.927 0.394 . . . . 0.0 111.098 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.51 -25.44 66.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.997 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 m -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.108 0.48 . . . . 0.0 110.359 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.11 -39.87 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.336 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.93 79.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.525 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.372 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.18 -42.47 75.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -66.2 -42.52 88.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.132 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.57 -36.21 87.78 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.863 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -41.0 95.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.38 -41.06 89.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.448 ' HZ2' ' CZ ' ' A' ' 17' ' ' PHE . 74.8 t-105 -68.01 -46.75 70.38 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.783 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.91 -38.4 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.88 -39.75 93.02 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.28 -47.34 84.74 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.822 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -68.42 -36.87 79.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -61.95 -42.06 98.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -64.74 -37.69 88.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.022 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.56 -45.37 94.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -63.84 -44.02 94.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.42 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.44 -42.54 98.92 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.178 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.47 88.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.27 -46.09 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.355 0.597 . . . . 0.0 109.877 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.6 -37.41 87.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.827 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -87.39 -9.29 55.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.939 0.399 . . . . 0.0 111.32 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.81 66.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.091 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.27 87.61 7.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 87' ' ' LEU . 24.7 pttm -70.66 -26.41 63.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.129 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.29 -42.85 99.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -70.52 -39.46 74.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 84' ' ' LYS . 94.8 mt -59.54 -43.44 93.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.196 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.58 -46.45 83.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.178 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 46.8 tt0 -70.2 -40.82 74.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.573 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.5 mt -60.75 -36.18 78.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.728 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.8 mt -60.02 -43.23 95.39 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.187 0.517 . . . . 0.0 110.031 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.36 -44.43 75.25 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.253 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 45.3 mm-40 -63.26 -41.83 99.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.62 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 98' ' ' LEU . 42.9 tp -61.53 -45.33 94.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.295 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.13 -43.05 91.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -66.39 -39.42 89.04 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.48 96.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.29 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -66.79 -32.9 74.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.12 -40.62 96.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 88.3 tttt -64.06 -41.11 97.48 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.116 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.51 -38.29 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.368 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -61.0 -36.65 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.982 0.42 . . . . 0.0 110.132 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.85 -38.77 76.58 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.141 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 98.6 mt -65.56 -33.69 76.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.08 -15.63 62.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -91.43 -25.08 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.235 0.323 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.873 178.404 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 mttp . . . . . 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.439 HD11 ' HB1' ' A' ' 105' ' ' ALA . 9.8 tt -65.5 -42.86 91.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.796 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -63.21 -43.77 97.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.8 -45.45 92.58 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.589 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.36 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -40.52 99.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.548 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.1 t70 -66.23 -40.88 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.612 0.244 . . . . 0.0 110.557 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.79 -36.83 80.0 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.098 177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.92 -46.13 91.89 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.992 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' GLY . 87.4 t -58.73 -44.16 89.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 64.1 mt-30 -62.27 -39.53 93.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 110.221 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.07 92.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.905 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -67.12 -38.92 86.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.687 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.59 -38.54 91.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.174 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -65.03 -44.02 90.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.36 -37.75 84.51 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.868 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -58.16 -45.68 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.288 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.02 -40.79 78.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.084 0.469 . . . . 0.0 110.517 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.22 -42.0 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.34 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.69 -43.29 97.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.559 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.66 -34.11 77.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.73 -18.48 54.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.676 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.37 73.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.135 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -85.79 93.23 8.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 110.481 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.72 -26.68 67.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.522 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.46 -53.11 53.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.496 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.8 p -74.09 -31.16 62.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.0 tt -59.23 -47.64 84.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.952 -174.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.0 -36.52 82.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.25 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.12 -39.16 93.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 39' ' ' ILE . 94.3 t -68.02 -35.09 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 90.0 mt -60.23 -36.24 77.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.37 -44.35 95.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.667 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.754 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.1 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG2' HE21 ' A' ' 44' ' ' GLN . 39.9 tt0 -60.24 -40.68 91.1 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.687 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.04 -42.58 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.25 -39.89 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.406 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.3 mt -60.7 -46.15 96.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.527 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.44 HE21 ' HG2' ' A' ' 40' ' ' GLU . 76.3 mt-30 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.305 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.23 -45.69 93.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.277 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -66.37 -43.48 85.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.654 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -62.11 -43.95 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.826 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -42.27 75.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.689 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.56 -43.44 98.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 110.935 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -69.56 -39.8 77.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.24 -34.13 74.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.016 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.91 -34.21 74.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.464 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -65.28 -25.13 67.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.699 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 71.39 100.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.69 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -163.53 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.922 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -112.82 -29.81 7.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.664 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.34 175.88 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.295 0.638 . . . . 0.0 110.732 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.6 m -65.05 -44.93 87.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 10.3 tp10 -75.14 -37.07 61.5 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.21 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.7 99.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.779 0.324 . . . . 0.0 110.813 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.71 83.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.03 -44.44 80.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.782 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.87 -39.93 79.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.543 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.14 -40.26 96.75 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.107 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.69 -41.78 98.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.67 0.271 . . . . 0.0 111.355 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.19 -39.1 92.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -68.92 -44.83 72.32 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.083 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -67.39 -40.59 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.83 -27.23 69.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.612 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.07 -43.98 95.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.67 -34.32 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.326 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -60.58 -45.37 94.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.252 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 74' ' ' ARG . 27.4 mmt180 -64.3 -37.12 86.36 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.505 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.8 t80 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -64.97 -36.89 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -44.46 75.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.17 -35.91 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.5 mt -62.51 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.216 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.753 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -78.05 -14.59 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.881 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.47 25.76 75.18 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.549 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.1 t70 -89.39 92.85 9.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 87' ' ' LEU . 60.5 mttp -71.47 -33.39 69.27 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.63 -35.42 80.74 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.82 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 34.3 m -70.62 -39.68 73.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 97.4 mt -59.58 -48.48 81.51 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.185 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.18 -44.11 96.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.2 -40.25 95.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.867 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 86' ' ' SER . 92.5 mt -64.58 -36.8 85.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.5 mt -64.7 -45.09 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 110.222 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.26 -44.91 90.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.414 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.05 -34.74 78.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.923 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.06 -47.04 88.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.207 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.36 -42.51 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.464 . . . . 0.0 110.963 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.11 -36.8 85.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.076 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.59 -37.97 86.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.185 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.48 -40.46 96.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 14.2 mm100 -63.53 -44.24 94.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.38 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -61.57 -45.83 92.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -60.21 -44.99 96.65 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -60.37 -46.71 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.105 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 7.1 mm-40 -64.54 -44.61 90.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.076 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 105' ' ' ALA . 4.2 pp -73.94 -35.66 64.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 6' ' ' LEU . . . -75.03 -31.91 61.45 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.69 -24.53 17.82 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.617 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? . . . . . 0 N--CA 1.469 0.507 0 C-N-CA 123.462 0.705 . . . . 0.0 112.09 -178.93 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.44 -36.75 65.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.492 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -63.39 -47.13 83.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -64.79 -45.55 85.8 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.705 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 m -68.1 -37.03 80.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.068 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -61.71 -44.31 98.08 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.381 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 20.8 t70 -69.47 -38.12 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.192 0.52 . . . . 0.0 109.995 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.66 -38.93 86.52 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.241 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' O ' ' HD1' ' A' ' 17' ' ' PHE . 73.7 mt -63.34 -44.35 95.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.178 176.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 98.3 t -58.24 -40.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.63 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 73.8 mt-30 -61.36 -44.62 96.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.1 77.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.519 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 37.2 m-85 -63.33 -37.11 85.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.494 178.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 15.7 mm100 -60.92 -38.1 84.59 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 98.6 mtt180 -62.98 -40.67 98.45 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.623 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.3 tp -60.83 -45.61 93.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.829 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -65.15 -45.3 85.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.71 -47.02 87.19 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.524 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.432 HD12 ' CG2' ' A' ' 35' ' ' VAL . 72.3 mt -67.07 -38.3 80.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.17 -39.46 86.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.503 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.13 -30.25 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -77.81 -18.44 56.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.238 0.542 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 14.93 80.37 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.47 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.72 93.37 8.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.243 0.544 . . . . 0.0 110.498 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.21 -26.83 68.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.623 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.96 -51.37 59.05 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.536 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.3 m -68.09 -32.19 72.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.172 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.88 -36.5 84.13 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.225 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.42 -39.84 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.811 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' ILE . 49.0 t -61.98 -34.4 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.585 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.2 mt -59.14 -39.36 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.68 -42.75 95.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.454 . . . . 0.0 110.413 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.07 -37.32 86.74 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.165 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.2 mm -64.19 -38.76 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.945 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.5 mt-10 -58.85 -45.67 89.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.18 -45.67 90.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.545 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.55 -39.55 84.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.329 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.1 mt -60.14 -44.47 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -62.33 -42.03 99.05 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.145 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -45.48 85.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.263 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -68.24 -39.48 82.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -62.89 -38.1 89.55 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.025 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.735 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.09 -42.25 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.09 -37.73 69.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.571 ' OD2' ' HA ' ' A' ' 56' ' ' ALA . 21.5 t70 -63.49 -41.72 98.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.16 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.81 -29.4 64.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.202 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.365 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -74.83 -87.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.42 . . . . 0.0 110.282 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.22 25.28 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.358 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.571 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 66.67 92.85 0.08 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.244 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.3 70.77 1.36 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.195 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.051 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.1 m -68.24 -39.91 82.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.77 -45.36 61.9 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.21 -29.34 70.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.59 73.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.667 0.27 . . . . 0.0 110.75 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -76.66 -38.93 53.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.179 0.514 . . . . 0.0 109.804 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.1 -35.92 91.53 Favored Glycine 0 C--O 1.217 -0.939 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.665 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -60.93 -41.89 97.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.754 0.277 . . . . 0.0 111.272 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -71.35 -40.5 70.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.232 0.539 . . . . 0.0 110.043 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -64.99 -48.97 72.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -67.95 -38.84 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 56.8 tt0 -63.08 -30.67 71.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.801 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.76 -45.27 94.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -68.53 -33.73 74.63 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -60.23 -41.98 94.26 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 79.8 mtt180 -59.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' ' 79' ' ' ILE . 53.0 t80 -63.78 -43.43 96.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.718 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -60.53 -43.89 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.295 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.68 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.9 mm-40 -60.3 -46.06 91.19 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.7 83.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 75' ' ' PHE . 43.5 mm -63.7 -45.08 98.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 0.0 109.991 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.58 -37.7 80.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.973 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 26.4 mmtp -84.25 -13.72 51.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.904 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.05 41.93 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.176 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -93.95 96.98 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' ' 87' ' ' LEU . 13.6 tppt? -71.6 -37.53 70.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.4 -176.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -66.86 -34.37 77.64 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -175.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 38.3 m -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.056 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 91.0 mt -58.05 -46.28 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.68 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.57 -44.29 74.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.3 mt -62.62 -36.85 84.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.14 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.3 mt -60.85 -35.68 77.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.966 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 tp10 -65.53 -45.87 81.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.8 -40.08 76.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 110.134 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 98' ' ' LEU . 45.1 tp -61.98 -40.64 96.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.136 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 12.1 tp10 -59.23 -39.24 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.54 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 84.3 mm-40 -60.23 -39.51 86.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.269 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.97 82.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.657 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.2 mm? -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.655 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 86.0 mm-40 -62.53 -42.06 99.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 23.7 ttmm -67.03 -41.05 87.24 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.494 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.66 -41.34 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.924 0.392 . . . . 0.0 110.521 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 102' ' ' ARG . 61.4 mtt85 -60.65 -46.75 89.12 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.67 -30.71 64.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 78.7 mt -68.45 -41.36 80.38 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.83 -27.28 62.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.162 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -83.2 -16.3 47.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.862 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? . . . . . 0 C--O 1.236 0.381 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.298 -177.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.239 0.512 0 CA-C-O 120.439 0.162 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 63.97 40.32 7.35 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.526 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 11.7 p90 -64.79 -19.04 65.61 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.18 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.1 -44.67 87.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -70.23 -38.2 75.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 tp -69.35 -44.96 70.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 10.8 mmt180 -67.03 -44.4 80.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.03 -46.11 90.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.149 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.3 m -65.31 -39.51 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.82 -44.3 97.67 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.394 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.4 -43.27 94.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 110.787 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.64 -37.18 80.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.493 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.92 -48.87 77.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.279 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 10' ' ' GLY . 82.4 t -58.91 -44.23 90.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.704 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.513 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 14.6 mm100 -62.3 -43.45 98.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.09 85.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 94' ' ' LEU . 25.3 m-85 -65.38 -38.44 90.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.379 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.9 mm100 -61.55 -43.65 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 2.9 mpt_? -64.56 -35.66 81.71 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.162 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.18 -43.95 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.556 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -65.11 -39.98 93.88 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 42.0 mt-10 -63.19 -41.6 99.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.788 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 19' ' ' ARG . 83.5 mt -66.13 -38.37 81.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.363 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.63 -39.21 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.604 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.5 -28.2 69.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.13 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.48 -17.67 50.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.11 19.19 75.27 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.874 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -90.28 93.73 9.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.577 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -69.52 -25.96 64.29 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.926 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.38 -50.72 58.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.194 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.0 m -67.01 -34.35 77.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -62.14 -46.43 89.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.602 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.92 -40.57 95.26 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -63.71 -44.84 92.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.837 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' SER . 89.0 t -63.27 -34.69 68.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.751 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.1 mt -60.0 -36.12 76.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.349 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.37 -41.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.85 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' ILE . 38.4 mm -60.15 -38.82 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.065 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -59.77 -43.26 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.606 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.71 -41.08 98.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.876 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.61 -40.58 84.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.812 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.5 mt -59.62 -43.77 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.25 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.899 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.9 -44.36 96.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.139 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -70.27 -40.24 74.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.192 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -65.59 -41.72 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.104 0.478 . . . . 0.0 109.74 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -63.55 -36.21 83.04 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.651 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.2 -42.98 99.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.866 0.365 . . . . 0.0 110.418 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.8 mt -67.47 -42.63 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.408 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -68.04 -40.45 82.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.287 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 19.5 t70 -68.33 -25.3 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.137 0.494 . . . . 0.0 110.662 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -81.37 -44.51 17.48 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.291 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -75.1 -31.97 61.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 51' ' ' ASP . 4.1 pt20 -18.68 91.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -174.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 55' ' ' GLU . 8.8 pt-20 -92.64 -16.37 25.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.504 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.34 -176.76 6.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.31 127.6 32.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.691 0.282 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.6 -37.02 82.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.982 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -61.22 -41.95 97.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.978 0.418 . . . . 0.0 110.283 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.47 -40.97 73.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.558 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.81 95.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 -42.96 68.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.633 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.8 -32.76 74.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.03 -42.02 97.24 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.15 -37.92 95.23 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 9.9 t70 -61.25 -41.81 97.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.422 -0.389 . . . . 0.0 110.537 177.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.27 -42.51 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -62.4 -43.02 99.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.462 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 65' ' ' GLY . 72.2 t -63.94 -40.91 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 49.3 mt-30 -63.04 -30.59 71.72 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.515 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.04 -48.39 71.23 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-O 120.845 0.355 . . . . 0.0 110.461 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -71.52 -35.17 70.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.471 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 22.1 tm0? -61.04 -46.57 90.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.847 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -68.7 -35.43 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.609 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 71.9 t80 -59.96 -46.9 87.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.889 -178.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.59 -38.85 90.66 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.794 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 12.1 mm-40 -61.91 -39.78 93.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.363 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.627 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 78.5 mt -62.49 -43.06 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.55 -36.66 83.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.975 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -78.18 -14.22 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.24 23.87 73.31 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 15.7 t70 -87.02 96.87 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.126 0.488 . . . . 0.0 110.971 -176.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -65.32 -29.35 70.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.12 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.44 -47.67 84.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.468 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 18.6 m -70.0 -36.41 75.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.8 mt -59.4 -48.2 82.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.338 -178.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 44.1 mt-10 -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.904 0.383 . . . . 0.0 111.042 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.09 -43.19 99.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.803 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 86' ' ' SER . 95.4 mt -67.99 -35.85 79.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.412 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.9 mt -61.06 -41.0 95.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.465 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 51.8 mm-40 -65.47 -44.31 87.56 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.117 0.484 . . . . 0.0 110.176 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.89 -41.1 90.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.818 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 17' ' ' PHE . 66.9 tp -61.96 -45.9 91.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.615 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 51.0 mt-10 -62.99 -46.94 85.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.872 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.51 -35.51 80.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -64.19 -40.91 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.389 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.1 mt -62.7 -40.46 97.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.472 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 95.6 mt-30 -62.69 -40.85 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.39 -45.69 68.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 97' ' ' ALA . 74.5 mt -60.67 -39.92 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.824 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttt-85 -60.59 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 6.9 mm-40 -66.36 -37.84 86.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.896 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -68.04 -33.87 75.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.437 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.81 -27.7 67.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.023 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.32 -2.9 58.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.482 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.2 tptm 62.78 49.15 3.82 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.57 0.7 . . . . 0.0 110.6 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.41 99.93 11.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.499 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.166 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.121 0.486 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.53 -26.1 18.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.26 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -85.14 126.97 34.05 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 33.7 tt0 -60.18 -37.01 78.88 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.27 0.356 . . . . 0.0 111.24 -176.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -62.04 -41.49 98.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.139 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.58 -38.24 67.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -63.28 -46.83 84.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.95 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 73.4 mm-40 -63.81 -45.06 91.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.462 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.47 -47.07 80.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.151 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.67 -41.61 89.11 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.836 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.46 -46.9 68.54 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.45 0.167 . . . . 0.0 111.055 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.85 -36.48 84.07 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.281 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.49 -48.6 81.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -66.86 -45.68 87.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 110.673 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 19.5 mm100 -64.47 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.039 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.52 94.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.625 0.25 . . . . 0.0 110.66 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CD2' HD21 ' A' ' 94' ' ' LEU . 47.5 m-85 -67.63 -38.44 83.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.818 177.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -61.31 -44.0 97.93 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 38.4 mtm-85 -69.71 -35.91 75.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.2 0.524 . . . . 0.0 109.927 177.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.09 -38.03 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.315 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -58.54 -42.28 87.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.88 -41.3 91.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.681 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 35' ' ' VAL . 73.6 mt -64.53 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.391 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.35 -41.09 94.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.325 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -77.58 -17.81 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.329 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.18 65.82 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.639 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.11 92.4 6.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.071 0.462 . . . . 0.0 110.069 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.32 -37.19 86.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.948 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.85 -50.25 74.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.888 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -69.33 -30.89 69.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.7 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 14.7 tp -59.75 -46.69 88.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.45 -178.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.33 -39.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.76 -46.96 85.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.17 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -65.9 -34.5 70.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.93 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.2 mt -60.12 -39.43 86.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.075 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.79 -39.38 94.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.488 . . . . 0.0 110.194 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 39.8 mm-40 -61.14 -41.07 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.926 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.8 mt -66.56 -38.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.742 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 52.5 mt-10 -58.84 -40.65 84.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.01 0.434 . . . . 0.0 110.476 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.95 -39.43 90.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.841 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.9 mt -65.95 -40.15 91.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 95.4 mt -60.22 -45.73 95.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.276 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -67.79 -39.91 83.98 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.267 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 59.2 mtpt -61.46 -44.56 96.9 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.028 0.442 . . . . 0.0 110.099 177.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.81 -47.68 84.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -67.34 -35.05 78.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -66.33 -36.58 83.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.584 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.1 mt -62.83 -39.38 94.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.95 -43.35 71.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.061 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.4 -33.29 75.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.128 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -81.12 -28.95 34.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.301 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' NH2' ' HA ' ' A' ' 109' ' ' ASN . 67.6 ttt180 -67.02 -38.36 85.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -150.98 120.87 7.09 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.263 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -80.07 94.29 5.93 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.04 -172.94 2.55 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.444 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.545 ' HB3' ' HG3' ' A' ' 60' ' ' GLU . . . -73.9 157.99 35.27 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.747 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.46 -39.15 89.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.034 0.445 . . . . 0.0 110.311 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.89 -33.24 75.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.396 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 44.8 mt-10 -70.94 -41.4 71.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.299 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.86 91.28 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.34 83.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.822 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.47 -44.54 96.15 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.909 0.385 . . . . 0.0 111.18 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -70.28 -37.99 74.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.309 0.575 . . . . 0.0 110.263 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.97 -46.49 44.25 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.413 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.11 -35.81 78.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.269 0.628 . . . . 0.0 112.395 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.1 -43.14 96.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 0.0 110.127 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -69.33 -41.49 76.59 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.035 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.4 t -61.17 -37.94 78.59 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -61.44 -38.89 88.82 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.501 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HG ' ' NH2' ' A' ' 74' ' ' ARG . 2.2 tt -65.41 -46.67 79.06 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.25 -38.68 91.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -61.48 -45.67 93.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.585 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' NH2' ' HG ' ' A' ' 71' ' ' LEU . 52.8 mtm180 -61.43 -36.99 81.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.148 0.499 . . . . 0.0 110.145 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 79' ' ' ILE . 61.3 t80 -66.76 -46.67 74.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.527 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -62.45 -44.55 96.14 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.853 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -61.26 -46.18 91.45 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 110.57 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.14 -35.92 80.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.4 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -64.27 -46.09 94.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.57 -36.78 83.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.382 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 12.6 mptt -88.66 -4.02 58.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.87 31.69 61.92 Favored Glycine 0 C--O 1.235 0.215 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.357 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.562 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 7.1 m-20 -88.39 78.62 7.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.105 0.479 . . . . 0.0 110.665 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.545 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.51 -39.54 84.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.255 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 11.9 m -71.94 -38.46 69.83 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.8 mt -60.13 -48.51 81.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.835 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.73 -36.26 83.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.554 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.59 -35.02 78.2 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.4 mt -66.4 -34.61 78.35 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.318 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 91.2 mt -58.61 -34.38 71.07 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.93 -44.6 95.62 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.997 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.91 -41.03 97.45 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.416 0.627 . . . . 0.0 109.429 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 17' ' ' PHE . 59.6 tp -61.66 -46.12 91.11 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 43.8 mt-10 -60.14 -46.69 88.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.817 0.341 . . . . 0.0 110.618 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -63.46 -39.26 94.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.6 mt -63.4 -42.32 98.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 68.0 mm-40 -66.16 -39.22 89.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 59.0 tttp -61.21 -40.3 93.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.999 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 97' ' ' ALA . 71.0 mt -60.13 -45.75 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.584 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -68.54 -37.46 79.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.768 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 35.6 mm-40 -60.8 -39.0 87.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.141 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.5 mt -73.47 -40.97 63.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.036 178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.3 -28.58 63.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.085 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.91 -2.96 58.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.107 0.48 . . . . 0.0 110.862 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -92.61 -6.52 49.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.863 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm 72.63 -64.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.879 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.432 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 92.2 m-20 . . . . . 0 C--N 1.315 -0.912 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.378 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.578 0.227 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.37 -35.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 t80 74.2 -17.26 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.829 0.851 . . . . 0.0 111.714 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -63.12 -45.8 90.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -72.8 -34.26 66.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.4 tp -65.08 -44.93 87.31 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 7' ' ' ARG . 15.0 ttp180 -70.72 -38.91 73.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.296 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -60.61 -43.31 97.61 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.668 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 46' ' ' HIS . 31.2 m -61.58 -35.68 78.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.74 -44.79 88.57 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.04 -44.04 97.0 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 109.975 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -61.01 -36.84 80.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.801 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.84 -47.44 85.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.8 t -60.15 -45.11 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.797 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.44 -45.85 92.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 39' ' ' ILE . . . -60.59 -44.56 96.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.413 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -67.82 -38.73 83.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.567 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 86.5 mm-40 -61.34 -44.07 97.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.929 0.395 . . . . 0.0 110.014 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -66.02 -36.78 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.379 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.8 -44.74 96.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -65.0 -40.73 95.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 46.1 mt-10 -60.75 -46.7 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.309 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 28' ' ' ASP . 80.5 mt -66.97 -39.12 82.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.048 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.76 -41.78 98.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.97 -32.62 74.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -81.31 -17.61 48.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.569 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 28.0 54.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.649 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.1 t70 -91.47 92.99 8.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.27 0.535 . . . . 0.0 110.091 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.42 -39.59 87.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.888 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.22 -50.92 71.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.606 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.6 m -71.49 -34.0 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 24.2 tp -61.45 -46.88 88.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.093 0.473 . . . . 0.0 109.896 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.46 -40.63 93.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.724 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.73 -39.83 95.3 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.865 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' SER . 98.6 t -68.83 -34.27 63.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.892 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -59.08 -38.2 78.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.035 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.01 -43.4 95.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 27.5 tt0 -61.92 -45.45 93.68 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.149 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.9 mt -59.6 -39.29 79.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.97 -42.29 97.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.66 -45.27 94.76 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 109.841 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.0 mt -61.95 -42.66 99.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.017 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.1 mt -60.85 -46.62 95.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.685 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.47 -44.32 87.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 88.8 tttt -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' HB2' ' CG2' ' A' ' 9' ' ' THR . 78.6 t60 -63.27 -46.62 85.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.959 0.409 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -34.35 77.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.024 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.06 -45.78 69.5 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.276 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 87.7 mt -63.2 -46.01 89.04 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.431 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -63.09 -47.68 81.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.846 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.93 -31.25 71.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.629 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -74.15 -28.74 61.46 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.457 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.5 mmm180 -75.46 -38.91 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.655 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' A' ' 56' ' ' ALA . 60.1 tt0 -174.53 155.1 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.881 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -36.52 51.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.434 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' H ' ' HG2' ' A' ' 54' ' ' GLN . . . 53.72 47.61 23.35 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.888 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.22 111.64 0.05 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.82 -42.57 93.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.971 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.718 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.8 t -64.19 -39.42 93.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.53 -44.73 73.96 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.775 0.322 . . . . 0.0 110.823 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.9 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.541 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.09 84.58 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.101 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.718 ' HG2' ' O ' ' A' ' 59' ' ' THR . 29.3 mmtp -66.5 -43.66 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 110.539 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -65.92 -43.37 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.082 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -45.78 68.81 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.656 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.25 -41.65 97.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.644 0.259 . . . . 0.0 111.555 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 77.6 mm-40 -70.26 -39.07 75.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -68.21 -46.04 71.68 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.44 -41.43 91.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.632 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.25 -42.3 99.16 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.62 -40.74 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.263 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.84 -43.2 99.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.115 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' HA ' ' HG3' ' A' ' 76' ' ' ARG . 50.2 tt0 -60.85 -44.9 96.36 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 178.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -59.8 -42.48 93.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.836 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.441 ' HA ' HD13 ' A' ' 90' ' ' LEU . 56.2 t80 -66.73 -48.09 70.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.63 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -65.65 -33.82 76.77 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.294 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.63 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 7.8 tp10 -60.03 -46.13 90.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.921 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.57 -36.27 83.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.581 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.0 mm -64.54 -47.1 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.075 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.62 -34.71 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.336 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.62 -11.35 59.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.188 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.49 31.94 68.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.684 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 19.4 t70 -97.59 96.14 8.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.0 110.741 -179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 87' ' ' LEU . 96.5 mttt -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.496 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.3 -49.93 75.43 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.756 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 p -72.21 -34.28 68.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.972 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.4 mt -59.29 -40.98 87.85 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.05 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.3 mt-10 -62.91 -39.28 94.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.724 0.297 . . . . 0.0 111.069 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.06 -37.82 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.21 0.528 . . . . 0.0 109.983 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 75' ' ' PHE . 24.4 mt -61.3 -35.88 78.56 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.665 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.4 mt -59.14 -40.42 85.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.67 0.271 . . . . 0.0 111.136 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -69.92 -41.71 74.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 110.758 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -34.78 78.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.175 0.512 . . . . 0.0 110.448 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 98' ' ' LEU . 31.6 tp -61.35 -45.02 96.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.537 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.18 -46.2 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.998 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.25 -41.95 99.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.57 86.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.901 -177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -67.93 -38.98 83.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 78.8 mt-30 -63.64 -40.54 97.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.887 0.375 . . . . 0.0 110.03 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 86.2 tttt -61.83 -47.18 86.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.815 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.02 -42.89 97.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.715 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -63.93 -39.04 93.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.241 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 24.4 mm-40 -71.62 -34.27 69.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.162 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 90.6 mt -65.4 -31.89 73.24 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.905 0.383 . . . . 0.0 110.578 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.63 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -84.93 -2.6 58.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.364 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -81.66 95.47 7.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.859 0.362 . . . . 0.0 110.513 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -87.47 111.34 21.06 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.009 -179.754 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.5 -28.14 68.33 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 106' ' ' GLU . 32.1 t80 -55.13 -41.1 71.3 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 177.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.71 -44.56 93.65 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.701 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.81 -42.98 97.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.227 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.87 -42.53 69.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.939 0.399 . . . . 0.0 110.692 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HD3' ' C ' ' A' ' 7' ' ' ARG . 3.7 tmt_? -63.33 -45.69 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.381 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -69.89 -34.47 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -62.96 -41.47 99.54 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -66.77 -39.89 93.68 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 17.8 t70 -60.27 -39.08 85.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.965 0.506 . . . . 0.0 110.798 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.69 -37.17 83.13 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.238 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.27 -39.59 92.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.636 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 98' ' ' LEU . 47.4 t -58.77 -42.3 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.15 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 73.8 mm-40 -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.183 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.36 -44.43 91.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.46 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 94' ' ' LEU . 46.2 m-85 -67.49 -40.44 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -64.2 -41.9 96.87 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.14 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 23' ' ' ILE . 20.8 tpp180 -66.4 -36.54 83.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.901 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.88 -42.82 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.257 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -63.41 -40.0 96.02 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.394 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 46.7 mt-10 -61.97 -45.4 93.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.787 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 19' ' ' ARG . 75.1 mt -63.65 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.309 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.64 -41.0 94.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.826 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.36 -30.13 69.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.227 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.1 mttt -77.69 -17.35 57.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.769 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.57 27.15 57.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.809 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -93.15 92.45 7.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.0 -27.09 63.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.348 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.86 -51.01 64.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.976 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 10.8 m -72.2 -33.92 67.99 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.512 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -61.19 -47.29 86.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.259 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.362 . . . . 0.0 111.313 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -64.92 -42.06 95.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' SER . 92.6 t -66.41 -35.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.818 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.4 mt -60.71 -36.65 79.34 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.09 0.472 . . . . 0.0 110.19 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -38.64 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.335 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -69.03 -44.68 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.9 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.559 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.7 mt -60.03 -38.93 78.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.468 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.84 -39.16 90.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.66 -44.08 82.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.803 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 45' ' ' LYS . 96.6 mt -61.78 -39.09 90.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.893 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 39' ' ' ILE . 98.2 mt -59.98 -44.34 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.041 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.71 -37.62 87.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.067 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 80.5 tttt -60.7 -45.08 95.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.989 178.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -64.93 -45.32 86.31 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.094 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 39.2 mmt180 -61.91 -42.51 99.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.603 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.956 0.407 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 99.2 mt -66.75 -35.8 80.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -73.13 -41.07 64.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.744 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.64 -34.87 77.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -19.79 62.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.677 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 25.5 mmt180 -75.78 -37.49 59.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 0.0 110.649 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -145.02 86.4 1.78 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.132 0.492 . . . . 0.0 110.196 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.1 -17.11 64.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.383 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.46 -20.89 59.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.86 30.38 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.125 0.488 . . . . 0.0 110.307 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.31 -37.78 84.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.636 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.5 m -76.22 -42.06 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.524 0.202 . . . . 0.0 111.515 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.53 -44.53 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.651 0.262 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.25 86.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.647 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -42.76 78.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -72.38 -37.68 68.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.867 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.61 -40.88 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.3 -36.05 91.14 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.536 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.75 -42.0 96.53 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.824 0.345 . . . . 0.0 110.734 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -69.54 -35.05 75.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.217 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' HE1' HD13 ' A' ' 43' ' ' ILE . 52.9 t-105 -67.13 -47.6 70.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.219 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' GLY . 91.1 t -61.91 -39.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 22.1 tp60 -62.24 -42.03 98.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.252 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.45 -42.95 91.82 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -61.86 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.495 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.72 -37.44 87.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.04 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 95.8 mtt180 -58.76 -37.67 76.76 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.799 0.333 . . . . 0.0 110.34 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.557 ' O ' HG13 ' A' ' 79' ' ' ILE . 73.6 t80 -63.5 -46.96 83.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.576 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -65.52 -41.39 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 10.3 mm-40 -60.87 -42.91 98.83 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.36 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.23 83.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 75' ' ' PHE . 77.1 mt -64.11 -42.06 94.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.08 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.938 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 84.8 mttt -80.07 -13.59 59.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.459 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.8 26.0 70.43 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.955 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.749 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.0 t70 -87.39 91.52 8.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -70.99 -36.34 72.43 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.832 -173.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -65.16 -36.18 83.41 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.609 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 24.3 m -70.69 -38.83 73.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.819 177.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.5 mt -60.02 -47.61 85.15 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.77 -45.44 85.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.75 -42.89 81.08 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.802 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.5 mt -61.41 -36.49 80.46 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.384 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.7 mt -59.61 -46.17 89.75 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.21 -44.05 72.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.733 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.57 -40.42 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.073 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 98' ' ' LEU . 38.3 tp -66.2 -46.42 77.35 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.774 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.62 -42.97 97.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.866 0.365 . . . . 0.0 111.254 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.82 -35.21 79.15 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -38.09 89.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.85 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 14' ' ' VAL . 4.1 mm? -63.3 -35.25 79.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.308 177.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 16.0 mm100 -62.85 -38.22 89.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.497 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 32.0 mmtm -67.74 -36.32 80.35 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.885 177.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.44 HD12 HD13 ' A' ' 98' ' ' LEU . 67.0 mt -61.94 -40.31 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.389 . . . . 0.0 110.066 178.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -61.28 -38.17 85.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.373 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.6 mt-10 -73.07 -44.92 59.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.768 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -61.48 -28.38 69.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.356 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.62 -29.41 70.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 0.0 111.079 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.503 ' HB2' ' CE1' ' A' ' 3' ' ' PHE . 31.6 tt0 -94.85 -22.41 18.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.27 0.557 . . . . 0.0 110.559 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -97.86 8.11 45.26 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -174.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.99 97.56 2.33 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.233 178.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.68 135.7 47.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.598 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 72.1 m-85 -118.64 -35.27 3.76 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.658 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.06 -43.41 95.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.899 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -65.44 -32.7 74.45 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.977 0.417 . . . . 0.0 110.783 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.4 tp -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 58.1 mtp180 -62.94 -44.28 96.49 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.019 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -61.3 -44.5 97.11 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.062 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -67.49 -35.07 78.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.134 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.62 90.13 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.24 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 19.5 t70 -66.47 -35.54 80.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.718 177.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.22 -45.44 91.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.277 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.58 -46.67 88.87 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.616 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 41.8 t -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.776 -178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 14.1 mm100 -67.71 -40.22 84.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.494 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.07 -40.5 93.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD2' HD21 ' A' ' 94' ' ' LEU . 42.7 m-85 -67.4 -36.85 82.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 81.4 mm-40 -61.43 -42.89 99.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 26.4 ptt85 -68.78 -32.96 73.06 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.228 0.537 . . . . 0.0 109.64 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.41 -39.33 90.34 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.53 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -59.46 -38.5 80.96 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.654 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -45.11 94.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.211 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.1 mt -67.9 -41.02 84.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.376 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.57 -38.69 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.06 -33.98 74.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -84.28 -7.38 59.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.954 0.407 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.43 27.43 73.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 113.063 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.53 92.47 9.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.951 0.405 . . . . 0.0 110.101 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -61.17 -39.32 89.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.574 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 4.6 m-20 -60.42 -51.35 69.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.372 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 35' ' ' VAL . 16.0 m -70.26 -33.33 71.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 23.7 tp -61.56 -47.26 86.33 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.308 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.58 -40.85 93.19 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 80.0 mm-40 -60.42 -42.82 96.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.5 t -70.09 -34.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.638 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 72.6 mt -60.1 -37.1 78.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.671 0.272 . . . . 0.0 110.386 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 33.6 tt0 -63.36 -43.48 97.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.3 tt0 -63.38 -41.69 98.79 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.145 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.0 mm -59.73 -40.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 39.5 tt0 -61.39 -40.67 95.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.796 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 40.1 mt-10 -66.53 -41.91 88.05 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.243 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 83.7 mt -61.89 -39.63 92.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.333 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.7 mt -60.22 -40.99 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 82.8 mm-40 -62.32 -39.92 94.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -66.1 -43.41 87.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.317 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.018 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -60.08 -44.62 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.06 -44.72 68.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.69 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.15 -43.29 87.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.776 0.322 . . . . 0.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 68.0 t80 -66.31 -36.99 84.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.59 -33.77 60.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.99 -35.13 79.16 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -70.69 -24.15 62.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.515 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 78.4 mm-40 -73.42 86.06 1.52 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -87.75 103.18 15.37 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 72.6 154.36 0.14 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.89 -173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 64.67 16.85 10.61 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.934 0.397 . . . . 0.0 111.332 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.04 -21.73 66.36 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.878 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -62.61 -31.19 71.98 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.999 0.428 . . . . 0.0 110.597 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.03 -38.56 72.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.165 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.17 -33.72 76.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.481 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.85 83.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.286 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -72.01 -40.93 68.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.657 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.52 -36.73 84.73 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -33.75 85.17 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.097 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.19 -37.41 80.14 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 2.1 mp0 -65.05 -38.98 92.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.7 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -68.0 -45.83 72.99 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.783 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.92 -39.53 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.723 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -62.54 -35.85 80.74 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.898 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 93.7 mt -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.521 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -65.88 -45.19 82.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.73 -37.68 88.27 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -64.2 -36.58 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' HA ' HD13 ' A' ' 90' ' ' LEU . 70.3 t80 -66.33 -46.96 75.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -63.05 -40.29 97.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.656 0.265 . . . . 0.0 111.175 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.84 -44.07 97.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.655 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 75' ' ' PHE . 77.7 mt -68.83 -45.37 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.63 -37.14 86.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.189 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.81 -13.38 59.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.637 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.45 31.56 74.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.035 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.5 t70 -95.23 97.64 10.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -60.04 -33.06 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.22 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.33 -44.65 92.59 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.545 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -70.88 -35.64 72.43 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.467 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 93.7 mt -61.73 -49.72 75.3 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.57 -42.1 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.513 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -68.92 -37.55 78.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.206 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 75' ' ' PHE . 29.6 mt -61.69 -35.92 79.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.914 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 98.9 mt -59.13 -38.43 79.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.916 0.389 . . . . 0.0 110.092 178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.4 -45.29 66.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.859 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.03 -42.77 84.31 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 17' ' ' PHE . 51.5 tp -62.19 -45.41 93.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.884 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -64.46 -37.64 88.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -60.26 -42.23 94.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 110.117 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.29 85.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.45 -39.14 92.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.14 -41.49 99.3 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.18 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -68.91 -46.75 67.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.922 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.91 -37.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -60.49 -46.83 88.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.305 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.28 -40.23 95.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.16 -41.48 85.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.238 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.69 -28.62 63.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 7' ' ' ARG . 9.3 mm-40 -76.0 -20.74 57.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.07 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 tttp 59.91 40.4 19.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -68.44 110.68 4.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.747 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.929 175.358 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.09 -55.98 5.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.524 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 106' ' ' GLU . 35.5 t80 -62.82 -21.66 66.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.801 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 28.6 tt0 -58.38 -42.22 86.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.946 0.403 . . . . 0.0 110.215 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -70.16 -42.05 72.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.803 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 105' ' ' ALA . 4.3 mm? -63.63 -38.9 92.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.393 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -62.87 -43.15 99.57 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.488 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.701 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 79.3 mt-30 -61.74 -47.94 82.94 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.983 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 m -69.82 -44.4 70.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.778 0.323 . . . . 0.0 111.482 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.44 -39.6 96.5 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.507 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.75 -36.08 75.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.248 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 55.0 mt-10 -60.71 -38.01 83.62 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 110.427 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.02 -47.63 85.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 51.9 t -60.73 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.542 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 80.1 mt-30 -61.63 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.032 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.29 74.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.716 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 94' ' ' LEU . 20.0 m-85 -62.42 -38.25 88.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 84.0 mm-40 -61.51 -43.21 99.28 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.407 177.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' A' ' 15' ' ' GLN . 6.5 mpt_? -69.37 -32.59 71.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 HD13 ' HB ' ' A' ' 35' ' ' VAL . 37.8 tp -59.41 -42.7 92.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.756 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -65.21 -38.66 91.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.79 -45.52 94.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.505 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.1 mt -67.1 -39.53 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.354 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -60.89 -39.93 91.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.9 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.65 -32.91 74.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.68 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -82.26 -17.84 44.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.957 0.408 . . . . 0.0 110.895 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.94 25.49 64.37 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.106 -0.569 . . . . 0.0 113.172 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.56 91.8 8.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.93 0.365 . . . . 0.0 110.262 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.44 -44.18 89.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.043 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -62.44 -44.04 97.37 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.071 0.462 . . . . 0.0 110.923 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -71.63 -32.95 68.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.612 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.56 -47.23 84.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.4 -36.03 82.38 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.15 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 tm0? -59.06 -40.4 85.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.396 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 39' ' ' ILE . 61.5 t -69.55 -36.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.31 -36.64 78.39 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 110.617 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.98 -40.81 91.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.938 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 mm-40 -64.0 -43.15 96.54 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.213 177.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.2 mm -59.82 -39.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.307 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.42 -41.55 89.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.507 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 87.5 mt-10 -68.21 -40.46 82.12 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.52 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -64.59 -40.38 95.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.172 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 97.6 mt -60.24 -41.57 87.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 110.135 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.75 -36.65 84.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.012 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 62.1 mtpt -61.55 -44.46 97.0 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.482 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.95 -42.16 97.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.472 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' ARG . 31.0 mmt180 -66.88 -38.66 86.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.702 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -63.65 -40.24 96.34 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.111 0.481 . . . . 0.0 110.173 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 95.0 mt -68.42 -38.12 80.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.943 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -67.21 -39.08 86.25 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 15.2 t70 -64.28 -33.98 77.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.443 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.12 -36.87 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.332 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -75.32 -40.18 58.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.884 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 6.3 tp-100 38.96 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.241 1.017 . . . . 0.0 112.623 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -110.63 24.41 13.0 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 120.952 0.406 . . . . 0.0 111.415 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.66 13.16 6.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.03 65.03 6.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.245 0.545 . . . . 0.0 109.941 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.73 -42.95 73.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.49 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -65.74 -41.86 91.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.61 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 42.8 tt0 -68.95 -41.62 77.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.462 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.1 87.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.44 -40.05 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.209 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -63.1 -45.0 94.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.06 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 11.5 pt20 -75.41 -37.67 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.075 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -68.48 -46.62 61.9 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.716 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.72 -41.91 98.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -36.61 79.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.409 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.439 ' HE1' ' CD1' ' A' ' 43' ' ' ILE . 73.7 t-105 -66.79 -40.24 88.07 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.191 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -63.61 -42.78 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.724 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.2 -44.97 93.86 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.09 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -65.02 -38.99 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.413 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -62.84 -45.33 93.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.233 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -62.57 -39.94 95.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.026 0.441 . . . . 0.0 110.381 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 t80 -63.74 -44.63 92.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.769 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -42.79 99.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.074 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.3 -46.86 88.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.715 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.64 83.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.361 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.7 mt -64.98 -41.19 91.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.92 0.39 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.19 -35.87 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.975 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.57 -13.55 57.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.99 31.45 66.83 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.962 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -96.97 96.33 8.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.904 0.383 . . . . 0.0 110.38 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -70.28 -24.86 63.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.334 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.63 -46.55 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.462 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.8 p -71.21 -39.5 71.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.555 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 96.7 mt -59.36 -41.27 88.85 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.019 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.95 -47.1 83.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.554 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.4 mt -63.93 -41.01 97.76 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.666 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.2 mt -61.32 -44.59 96.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.414 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.96 -45.52 92.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.748 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.89 -33.59 72.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.27 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.574 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.356 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.84 -44.77 93.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.258 0.551 . . . . 0.0 110.42 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.12 -36.54 82.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.892 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -65.66 -38.08 88.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.8 mt -62.52 -37.72 87.17 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.131 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -63.16 -44.67 94.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.953 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.587 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.0 mttp -63.55 -43.31 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.68 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.4 mt -59.83 -43.19 91.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.522 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 19.3 mtp180 -62.3 -39.01 91.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.656 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 107' ' ' LYS . 46.8 mt-10 -69.13 -39.62 78.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.792 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 82.9 mt -66.39 -40.14 89.46 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.582 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 6' ' ' LEU . . . -65.76 -24.1 66.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.41 ' HB2' ' CE1' ' A' ' 3' ' ' PHE . 41.0 tt0 -86.8 -10.5 53.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.202 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 27.3 mtpp -93.72 124.35 37.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.907 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -109.77 -20.13 12.91 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.033 178.537 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 15.8 m . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 120.599 0.238 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 1.5 mp0 -69.37 -24.21 63.85 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -56.92 -54.71 43.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 1' ' ' SER . 15.7 pt-20 -68.28 -31.52 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.228 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 2' ' ' GLU . 97.0 mttt -62.75 -42.48 99.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.0 110.274 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' CD2' ' HD3' ' A' ' 53' ' ' ARG . 46.1 tp -70.57 -36.25 73.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.74 -42.61 85.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.062 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 48.7 tt0 -65.52 -46.11 80.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.2 m -69.47 -36.42 76.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.36 -40.06 98.56 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.58 -40.93 98.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 42.6 mt-10 -60.85 -43.74 97.92 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.66 -48.16 83.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.628 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 95.7 t -64.55 -42.54 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -62.34 -40.79 97.53 Favored 'General case' 0 N--CA 1.419 -1.987 0 C-N-CA 122.784 0.433 . . . . 0.0 110.425 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -41.83 99.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.5 m-85 -66.13 -39.37 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 76.4 mm-40 -63.88 -36.66 84.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 0.0 109.939 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' HG13 ' A' ' 23' ' ' ILE . 19.1 tpp180 -66.57 -40.82 89.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.02 -39.05 88.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.372 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' PHE . 22.6 mtp180 -59.28 -44.53 92.46 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.307 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -64.93 -38.46 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.823 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 19' ' ' ARG . 79.4 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.186 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 87' ' ' LEU . 71.2 t80 -67.14 -38.79 86.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.626 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -61.71 -35.15 77.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.583 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -94.48 -6.83 43.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.008 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 28.84 55.23 Favored Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.934 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.0 t70 -86.36 93.46 9.11 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.325 0.584 . . . . 0.0 110.466 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.73 -43.91 74.95 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.97 -46.38 89.61 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . 97.8 p -72.6 -31.1 64.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.453 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.4 tt -58.68 -46.24 87.66 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -174.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -39.79 95.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.865 0.364 . . . . 0.0 111.156 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.8 -43.8 78.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.1 t -62.59 -36.66 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.793 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.5 mt -60.64 -41.44 94.93 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.319 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -69.29 -38.03 78.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.475 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -67.53 -39.09 85.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 43' ' ' ILE . 66.0 mt -61.63 -37.7 78.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 176.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.38 -43.17 88.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.957 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.99 -37.25 86.75 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.649 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.73 -40.23 84.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.348 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -60.47 -38.49 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -62.31 -46.24 89.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.792 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.05 -45.43 93.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.299 0.571 . . . . 0.0 109.949 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -60.62 -48.46 81.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.622 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -66.45 -34.43 77.93 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.19 -44.79 96.73 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.78 -37.4 65.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.274 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.72 -48.88 73.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -67.09 -24.2 65.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -80.3 -35.88 35.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 6' ' ' LEU . 43.6 mtp180 -68.75 -39.28 80.38 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.684 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -158.54 143.43 16.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.03 126.65 40.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.47 157.52 17.0 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.583 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . . . -72.09 166.78 21.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.255 178.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.32 -42.25 95.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.176 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -69.74 -42.11 74.35 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.033 0.444 . . . . 0.0 110.506 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' OE1' ' HB3' ' A' ' 57' ' ' ALA . 1.2 mp0 -66.86 -45.72 77.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.395 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.95 86.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.27 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.19 71.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.933 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.74 -44.33 90.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.699 0.285 . . . . 0.0 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.403 HE21 HD11 ' A' ' 104' ' ' LEU . 11.7 mm100 -75.72 -40.0 56.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.949 0.404 . . . . 0.0 110.992 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.21 -44.62 93.58 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.604 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.3 -40.0 92.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.51 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.89 -42.64 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.639 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -67.51 -47.77 69.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 65' ' ' GLY . 76.3 t -61.1 -38.95 80.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.72 -44.68 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.568 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.7 -44.91 96.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.339 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -65.42 -46.06 81.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.043 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.02 -46.51 81.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.521 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -68.5 -38.51 81.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 79' ' ' ILE . 85.5 t80 -61.73 -49.82 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.106 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -68.26 -35.7 78.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.956 0.408 . . . . 0.0 111.209 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.27 -42.46 99.36 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.658 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.62 -35.15 78.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.038 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.9 mt -61.0 -38.08 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.107 0.48 . . . . 0.0 109.903 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.47 -27.69 69.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.704 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -93.91 -13.41 27.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.555 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.3 22.32 78.55 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.19 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 28.8 t70 -87.26 91.07 8.59 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.167 0.508 . . . . 0.0 110.812 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 87' ' ' LEU . 22.2 ptmt -64.66 -24.2 67.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.262 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.66 -49.56 76.09 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 37.9 m -71.96 -39.79 69.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.585 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 24' ' ' PHE . 97.4 mt -59.29 -48.37 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -175.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.679 0.276 . . . . 0.0 111.383 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 52.7 tt0 -69.79 -43.66 71.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.075 0.465 . . . . 0.0 110.235 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.2 mt -61.1 -33.46 73.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -57.35 -44.0 83.93 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.701 0.286 . . . . 0.0 110.643 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -70.38 -38.28 74.68 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.996 0.427 . . . . 0.0 110.672 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 7.2 mm-40 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 17' ' ' PHE . 52.8 tp -66.48 -39.9 89.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.361 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.94 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.335 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -67.05 -35.83 80.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.807 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.0 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.3 mt -62.81 -43.77 97.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 110.45 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -70.29 -35.76 73.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.807 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -61.63 -46.04 91.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.2 mt -69.15 -40.82 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.608 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -60.88 -39.46 89.31 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.85 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -63.35 -42.35 98.91 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.352 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD11 HE21 ' A' ' 64' ' ' GLN . 88.8 mt -69.78 -34.58 73.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.41 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -73.34 -31.58 64.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.06 -22.71 17.73 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.293 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 35.6 ttmt -136.25 97.51 3.61 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.18 -173.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -80.37 110.74 16.1 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.314 -0.966 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.576 -178.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.35 125.94 25.45 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.0 t80 73.37 -40.1 0.46 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.892 0.877 . . . . 0.0 110.926 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 34.7 tt0 -59.47 -41.38 89.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.719 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -62.38 -29.04 70.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 49' ' ' LEU . 69.3 mt -72.43 -44.69 62.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.574 . . . . 0.0 109.753 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.545 ' HG3' ' OE2' ' A' ' 106' ' ' GLU . 49.1 ttp180 -70.2 -47.02 63.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.455 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 10.0 mm100 -63.84 -39.23 93.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.1 m -62.38 -45.56 92.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.879 0.371 . . . . 0.0 110.675 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.8 -39.99 97.02 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.072 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 44.5 mt-10 -60.15 -41.35 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.876 0.37 . . . . 0.0 110.023 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.56 ' HB3' HD12 ' A' ' 98' ' ' LEU . 43.0 mt -60.39 -47.69 84.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.43 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 43.6 t -59.89 -45.72 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.764 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -64.8 -38.9 92.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.38 88.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.301 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -67.94 -37.31 81.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.856 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 79.4 mm-40 -61.35 -41.15 96.6 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.812 0.339 . . . . 0.0 110.241 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -67.81 -37.22 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.71 -38.17 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.434 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -58.34 -43.87 88.48 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.009 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.5 -43.19 90.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.7 -45.95 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.335 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -64.57 -38.9 92.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.507 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.46 -35.45 77.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -88.67 -16.59 31.95 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.73 27.07 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.614 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -86.94 90.6 8.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.134 0.492 . . . . 0.0 110.009 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.04 -28.26 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.155 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.59 -51.67 68.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.219 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 m -72.79 -31.49 64.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.1 -44.3 94.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.86 -36.85 72.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.446 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -63.25 -36.17 82.79 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.971 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 39' ' ' ILE . 60.5 t -62.34 -37.16 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.832 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.69 -37.1 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.911 0.386 . . . . 0.0 110.807 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.3 mm-40 -69.62 -43.06 73.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.816 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.12 -42.19 89.53 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -60.41 -38.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 7.3 tp10 -59.22 -46.03 89.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 31.1 mt-10 -59.28 -46.48 88.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.6 -40.58 92.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.774 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.3 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 120.834 0.35 . . . . 0.0 110.626 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 67.6 mm-40 -62.97 -36.53 83.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.689 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 54.6 mtpt -61.6 -44.61 96.69 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -62.06 -39.38 92.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.559 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -61.12 -42.39 98.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -65.24 -41.24 94.56 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.499 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.0 mt -64.8 -45.04 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -63.67 -38.27 90.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -72.06 -36.2 69.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.282 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.6 -31.59 70.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -59.88 -32.13 70.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.675 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.01 162.52 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 64.7 12.53 7.67 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.16 0.584 . . . . 0.0 111.481 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.34 116.09 28.31 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.396 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 125.98 25.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.06 -27.37 68.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -59.19 -42.39 90.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.189 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -70.51 -40.64 73.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.7 99.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.4 -43.28 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.97 -45.4 89.26 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.804 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -73.84 -39.97 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.556 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.08 -44.65 96.96 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.778 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 18.6 t70 -61.76 -40.84 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.608 0.242 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.19 -39.79 94.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -66.97 -43.42 83.1 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.516 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 87.3 t -60.93 -39.37 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 80.3 mm-40 -62.74 -35.41 79.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.182 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -66.19 -39.75 89.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.1 -43.52 78.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.397 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 14.1 mm100 -62.98 -45.04 94.28 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.208 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 74' ' ' ARG . 3.3 tpm_? -59.87 -43.13 94.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.195 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 79' ' ' ILE . 74.9 t80 -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.658 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -64.26 -42.72 96.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.52 -39.76 89.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.394 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.42 90.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 75' ' ' PHE . 64.0 mt -68.46 -43.35 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 121.314 0.578 . . . . 0.0 109.668 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.51 -37.16 84.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.335 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.87 -13.33 57.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.042 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.66 30.92 65.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.959 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -103.21 97.04 7.18 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.825 0.345 . . . . 0.0 110.707 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 17.0 pttp -68.43 -25.42 65.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.317 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.65 -48.63 78.95 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.552 0.215 . . . . 0.0 111.161 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.546 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 12.1 p -70.99 -36.19 72.39 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.583 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 84' ' ' LYS . 84.7 mt -59.49 -44.28 93.11 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 84.9 mt-10 -58.32 -45.57 87.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -70.28 -40.11 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.841 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 86' ' ' SER . 91.9 mt -63.11 -36.2 82.79 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.626 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.52 -37.04 74.8 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.716 0.294 . . . . 0.0 111.419 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.85 -45.44 67.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.2 -36.11 74.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.67 -45.5 93.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.811 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.7 tt0 -59.13 -41.18 87.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.818 0.342 . . . . 0.0 110.79 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -63.8 -36.13 82.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.46 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -61.69 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 13' ' ' LEU . 3.4 mm? -63.32 -37.27 86.61 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.948 177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 74.4 mm-40 -64.49 -41.81 96.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.19 -44.71 95.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.406 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 97' ' ' ALA . 80.5 mt -61.9 -45.79 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.351 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.482 ' HE ' ' CD ' ' A' ' 106' ' ' GLU . 53.6 ttt180 -60.86 -36.4 79.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.8 mt-10 -60.41 -40.62 91.63 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.704 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.51 -37.58 80.17 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.011 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.07 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.015 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.545 ' OE2' ' HG3' ' A' ' 7' ' ' ARG . 57.1 mt-10 -91.25 -22.45 20.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.736 0.303 . . . . 0.0 111.548 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -121.89 98.25 5.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.969 0.414 . . . . 0.0 110.862 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -77.11 116.33 17.66 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.374 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.521 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 CA--C 1.518 -0.262 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.8 9.98 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.074 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.426 ' HB2' ' HB3' ' A' ' 6' ' ' LEU . 65.0 m-85 -107.91 102.05 11.27 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.642 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 10.6 tp10 -63.71 -48.61 76.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.51 -30.47 63.13 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.322 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 3' ' ' PHE . 6.7 tt -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -66.84 -42.04 86.42 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 76.2 mm-40 -64.34 -44.27 92.02 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.674 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -60.73 -42.63 97.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.796 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.26 -40.68 92.17 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 15.1 t70 -65.23 -46.34 81.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.9 mt-10 -65.06 -35.26 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.35 -43.83 96.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.1 -38.38 80.73 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.306 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 98.6 mt-30 -60.08 -37.86 81.16 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.38 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.39 . . . . 0.0 110.369 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -68.55 -38.92 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -63.72 -38.48 91.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.844 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' NH1' HG22 ' A' ' 35' ' ' VAL . 12.4 ttm180 -66.82 -38.41 86.4 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 tp -61.48 -39.19 90.01 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.03 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -60.75 -41.36 95.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.196 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 8.2 mm-40 -63.85 -43.75 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.093 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.439 ' CD1' HG21 ' A' ' 35' ' ' VAL . 72.1 mt -62.36 -40.73 89.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.295 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -60.39 -39.69 88.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.74 -34.08 77.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.321 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 66.7 mmtt -89.49 -17.11 29.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.59 27.2 67.89 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.378 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' A' ' 23' ' ' ILE . 11.3 t70 -86.09 93.3 8.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.171 0.51 . . . . 0.0 110.889 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.75 -29.31 69.81 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -66.38 -50.63 62.83 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 p -71.77 -30.2 65.31 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.07 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -58.89 -46.49 87.73 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.57 -39.99 93.14 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.04 0.447 . . . . 0.0 110.837 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.34 -45.12 77.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.83 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG22 ' NH1' ' A' ' 19' ' ' ARG . 67.5 t -64.06 -35.11 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.8 mt -60.59 -36.37 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 177.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -65.57 -40.9 93.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.669 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.9 mt-10 -62.67 -45.63 91.92 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.522 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.5 mt -59.62 -39.98 80.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.342 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.76 -45.21 94.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.564 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.54 -43.64 89.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.931 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 92.0 mt -61.81 -40.34 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.2 mt -60.5 -40.94 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -64.95 -47.62 76.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.72 -44.38 90.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' HH22 ' A' ' 53' ' ' ARG . 53.2 t-80 -62.42 -36.99 84.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.351 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 47' ' ' ARG . 11.8 ttp180 -62.61 -43.45 98.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.708 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -66.39 -39.43 89.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 0.0 110.327 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.28 -33.8 76.06 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.057 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -69.38 -36.49 76.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.566 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 26.2 t0 -64.46 -39.27 93.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 110.08 177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -74.68 -33.15 62.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.758 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.491 HH22 ' CD2' ' A' ' 46' ' ' HIS . 89.0 mtm180 -75.41 -37.82 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.696 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -140.83 -78.48 0.28 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.66 140.53 0.35 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.108 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -160.54 90.83 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.002 0.429 . . . . 0.0 111.367 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.93 149.44 28.21 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.71 -30.81 71.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.65 0.262 . . . . 0.0 111.0 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 m -60.51 -42.34 96.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.45 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.05 -44.92 60.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.49 96.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.84 86.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.666 0.27 . . . . 0.0 111.693 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -72.56 -44.91 61.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.92 -33.88 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.11 0.481 . . . . 0.0 110.77 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -34.32 87.72 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.825 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.94 -40.76 90.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.659 0.266 . . . . 0.0 110.808 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.42 -38.13 71.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 0.0 110.371 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 71' ' ' LEU . 73.3 t-105 -65.98 -45.94 79.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.604 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.29 -38.07 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.26 -29.6 70.52 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.729 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' TRP . 50.3 tp -61.95 -40.46 95.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -67.53 -37.99 83.55 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.116 0.484 . . . . 0.0 109.982 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.61 -41.78 92.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.117 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -65.91 -36.71 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.665 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.8 t80 -60.26 -46.36 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.519 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -61.69 -42.72 99.32 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.4 -44.94 95.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.718 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.28 93.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.82 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 75' ' ' PHE . 74.3 mt -65.17 -45.33 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.054 177.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -36.85 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.092 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -77.94 -14.86 59.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.574 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.37 31.31 71.34 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.561 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.8 t70 -94.39 96.64 9.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.023 0.44 . . . . 0.0 110.328 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HD3' HD12 ' A' ' 87' ' ' LEU . 75.6 mmtt -66.39 -28.66 68.8 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.886 -177.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.42 -49.31 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.446 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 20.2 m -65.9 -34.76 78.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.19 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.5 mt -59.64 -48.28 82.3 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.794 0.331 . . . . 0.0 110.714 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.22 -44.78 94.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.38 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.87 -39.2 93.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.611 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.8 mt -65.06 -36.86 85.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.48 -35.84 82.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.71 -44.86 88.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.96 -42.95 99.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.992 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 61.6 tp -61.48 -43.49 98.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.78 -46.91 86.44 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.596 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.01 -41.14 87.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.904 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.18 -42.92 99.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.8 mt -63.15 -36.99 85.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 110.397 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 44.7 tt0 -63.04 -45.23 93.21 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.555 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.2 mt -60.6 -44.23 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 39.6 mtm180 -61.63 -43.94 97.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.181 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 9.6 mm-40 -61.08 -41.26 96.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.84 -35.1 67.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.98 0.419 . . . . 0.0 110.656 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB1' ' NH1' ' A' ' 53' ' ' ARG . . . -68.03 -28.52 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.075 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.47 -2.02 58.24 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.583 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 71.44 -65.81 0.33 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.884 0.874 . . . . 0.0 110.698 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -160.42 106.49 1.51 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.314 -0.95 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.289 179.711 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 107' ' ' LYS . 29.7 t . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -136.73 127.4 27.12 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.94 0.4 . . . . 0.0 110.416 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -167.54 51.52 0.06 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 5.3 mm-40 -59.14 -38.56 79.95 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.605 -1.18 . . . . 0.0 113.099 -171.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.76 -42.47 58.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.83 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.73 -29.5 67.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.222 0.534 . . . . 0.0 109.619 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -61.59 -38.91 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 67.6 mm-40 -67.79 -45.39 74.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.435 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 86.8 m -70.52 -41.31 72.74 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.563 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 -45.17 96.39 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.109 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 t70 -67.51 -35.79 79.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.015 0.436 . . . . 0.0 110.059 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.48 -39.25 83.12 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 9' ' ' THR . 51.2 mt -62.53 -46.25 89.25 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 45.5 t -60.2 -40.36 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 74.9 mm-40 -62.16 -43.49 98.73 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.963 0.411 . . . . 0.0 110.276 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.82 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.896 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 94' ' ' LEU . 29.0 m-85 -66.28 -37.81 86.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.332 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 76.7 mt-30 -60.96 -43.28 98.99 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 22' ' ' GLU . 26.9 mmt180 -65.22 -38.93 91.97 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.268 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.47 -43.67 96.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.305 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -65.46 -38.7 90.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 51.5 mt-10 -60.48 -44.14 96.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.8 mt -65.08 -39.25 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.467 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -64.7 -46.73 81.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.59 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.129 0.49 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 28' ' ' ASP . 71.5 tttt -77.77 -17.88 57.05 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.162 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 26.31 59.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.768 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 7.6 t70 -98.29 92.41 5.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.25 -40.34 74.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.58 -46.61 87.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.3 m -70.84 -33.25 70.48 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.407 178.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.9 tp -60.95 -46.43 90.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.774 -177.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -40.11 93.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.405 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -67.96 -39.68 83.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.631 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 31' ' ' SER . 90.7 t -62.51 -32.99 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.555 177.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.1 mt -59.28 -36.5 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.183 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' HA ' ' OE2' ' A' ' 40' ' ' GLU . 27.3 mt-10 -67.35 -36.41 81.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.124 0.488 . . . . 0.0 109.959 177.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.8 mt-10 -64.3 -39.99 95.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.7 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.3 mm -59.53 -38.0 73.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.296 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' A' ' 37' ' ' GLU . 43.7 mt-10 -58.28 -45.76 87.31 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.3 mt -65.26 -40.73 94.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.3 mt -61.33 -46.34 96.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.067 0.461 . . . . 0.0 110.175 178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 52.8 tt0 -67.64 -36.71 81.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.212 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.13 -42.49 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.606 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.1 -38.66 89.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.133 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -67.34 -32.4 73.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.0 mt-30 -61.38 -44.17 97.62 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.58 -34.64 76.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.37 -40.34 97.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.92 -39.59 72.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -66.02 -41.42 90.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.309 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -75.54 -38.56 59.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.176 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 62.2 90.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.469 0.652 . . . . 0.0 110.007 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -110.0 98.52 7.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.292 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.54 -79.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.711 0.805 . . . . 0.0 112.977 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 59' ' ' THR . . . -153.61 129.97 10.55 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.836 0.351 . . . . 0.0 111.658 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.05 -33.5 75.58 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.097 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.434 HG22 ' HB1' ' A' ' 57' ' ' ALA . 11.3 t -58.15 -28.26 64.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.716 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.38 -44.67 62.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.17 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.61 73.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.158 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.67 -43.11 66.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.885 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -68.98 -44.52 72.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.734 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.53 -30.23 65.68 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.38 -36.07 92.58 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.904 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.38 -40.96 96.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.215 0.531 . . . . 0.0 109.837 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -67.51 -42.46 82.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.043 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.54 -49.59 68.35 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.194 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' GLY . 95.8 t -61.69 -38.87 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.29 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.79 -43.68 98.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.227 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -63.34 -41.7 98.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 48.8 mt-30 -62.33 -38.91 91.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.008 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -59.34 -40.18 85.55 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 110.426 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.51 -42.58 98.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.121 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -65.92 -42.82 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 58.4 mm-40 -61.02 -42.89 99.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.29 94.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.463 HD12 HD11 ' A' ' 36' ' ' LEU . 95.2 mt -66.06 -42.32 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.043 0.449 . . . . 0.0 110.35 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.08 -33.05 74.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 66.1 mttm -89.09 -5.72 57.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.82 30.6 70.32 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.748 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -94.79 96.65 9.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.01 0.433 . . . . 0.0 109.838 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.56 -33.54 71.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.855 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.24 -45.25 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.746 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.523 ' O ' HD23 ' A' ' 90' ' ' LEU . 31.6 m -63.03 -34.26 77.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.268 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.0 mt -59.08 -43.68 91.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -42.53 95.3 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.039 0.447 . . . . 0.0 110.033 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -62.77 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.275 0.56 . . . . 0.0 109.7 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 86' ' ' SER . 3.0 mm? -63.13 -45.57 91.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.806 177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 97.0 mt -61.67 -35.5 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.22 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -64.96 -44.86 88.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.11 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.69 -37.58 88.07 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.062 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.414 HD21 ' CD2' ' A' ' 17' ' ' PHE . 53.5 tp -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.941 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.59 -45.51 92.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.208 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.11 -37.3 86.96 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.103 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.18 86.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.325 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.17 -36.42 83.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 5.6 tp-100 -63.13 -44.11 96.49 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.832 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.39 -46.43 90.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.752 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -65.41 -42.25 93.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.631 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 6.4 tpt180 -60.89 -41.61 96.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.11 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 10.8 mm-40 -59.75 -44.87 93.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.61 -33.78 64.74 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.318 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.22 61.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 58.4 mm-40 -73.32 -24.46 60.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.106 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HB2' ' OG ' ' A' ' 1' ' ' SER . 35.3 mmtp 63.03 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.692 0.62 . . . . 0.0 111.722 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -96.85 9.6 41.39 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.739 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.891 178.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -158.65 -49.17 0.06 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.322 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -80.2 -25.06 39.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.5 -18.11 64.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.785 0.326 . . . . 0.0 111.083 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -62.68 -41.97 99.38 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.19 -37.56 66.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.837 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -63.08 -34.29 77.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.387 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 53.7 tt0 -61.06 -44.51 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.393 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -65.76 -38.91 90.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.72 -39.7 95.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.557 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.23 -38.54 91.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 78.9 mm-40 -60.62 -40.68 92.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.84 176.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.95 -43.32 98.87 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.489 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' HA ' HD13 ' A' ' 98' ' ' LEU . 58.0 t -58.95 -45.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.246 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -64.26 -46.09 85.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.54 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.56 95.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 98' ' ' LEU . 31.9 m-85 -67.7 -39.45 84.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.51 -38.14 86.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 23' ' ' ILE . 28.9 ttt180 -62.4 -41.81 98.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.304 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.56 -44.95 95.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -62.66 -43.81 97.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.743 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 40.2 mt-10 -61.3 -43.2 99.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 28' ' ' ASP . 94.7 mt -65.18 -40.86 90.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.994 0.426 . . . . 0.0 110.292 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -60.72 -41.71 95.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.767 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.92 -31.5 72.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.821 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 62.6 mtpt -78.21 -13.04 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.16 27.01 64.94 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.507 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 10.1 t70 -97.38 92.62 6.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.185 0.517 . . . . 0.0 110.143 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.558 -177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.8 -50.89 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.307 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.5 m -71.71 -30.17 65.36 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.957 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 16.8 tp -59.28 -47.17 86.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.723 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.64 -37.82 87.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.985 0.421 . . . . 0.0 110.691 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 mm100 -62.12 -40.41 95.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.507 ' O ' HG12 ' A' ' 39' ' ' ILE . 51.3 t -69.28 -36.18 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.0 mt -60.3 -40.8 91.79 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.39 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.401 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 52.7 mt-10 -62.14 -42.42 99.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.315 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 35' ' ' VAL . 43.7 mm -59.69 -40.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.613 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 47.1 mt-10 -60.56 -40.65 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -178.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.7 tp10 -70.0 -42.3 73.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.176 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 89.7 mt -61.36 -43.55 98.68 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 89.9 mt -60.89 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -62.15 -40.75 97.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.009 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 61.0 mtpt -64.25 -44.02 93.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.357 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 78.8 mtp180 -61.33 -41.78 97.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.268 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.69 -44.03 97.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 99.1 mt -68.08 -42.02 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.341 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -66.41 -43.27 86.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.078 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.73 -31.25 71.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 110.728 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -78.91 -25.95 43.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -61.02 -38.67 86.89 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.984 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -152.85 132.12 12.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.042 0.449 . . . . 0.0 110.726 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.12 163.22 14.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.03 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 67.44 23.36 9.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.634 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -123.77 25.08 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.953 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.45 -38.64 84.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.479 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 t -64.51 -39.35 93.63 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.738 0.304 . . . . 0.0 111.449 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -71.65 -39.64 70.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.212 0.53 . . . . 0.0 109.878 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.86 76.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.297 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.76 71.43 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.721 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.66 -44.34 96.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -74.74 -43.16 56.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.7 -46.7 66.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.234 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.778 0.289 . . . . 0.0 111.549 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.92 -43.98 86.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -68.8 -47.93 64.88 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.472 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 72.6 t -61.26 -44.5 98.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.639 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 52.5 tt0 -65.88 -40.89 92.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.447 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.21 -40.26 95.5 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.011 0.434 . . . . 0.0 109.952 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -65.97 -40.68 91.47 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.784 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.48 -35.54 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.314 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 44.3 mmm-85 -63.78 -35.6 81.13 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 79' ' ' ILE . 73.5 t80 -61.32 -44.44 97.19 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.414 HH12 ' CD ' ' A' ' 40' ' ' GLU . 28.2 ttm180 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.011 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.88 -43.7 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.48 -35.99 81.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.399 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 75' ' ' PHE . 37.2 mm -65.97 -46.63 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.323 0.582 . . . . 0.0 109.865 176.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.98 -36.9 85.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.367 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -87.21 -13.61 43.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.277 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 30.62 61.61 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.412 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.0 t70 -88.31 87.68 7.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.245 0.545 . . . . 0.0 109.853 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' A' ' 87' ' ' LEU . 65.6 tttp -66.63 -26.17 66.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.864 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.05 -48.75 80.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.1 m -71.48 -34.61 70.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.707 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 96.8 mt -59.5 -45.01 92.94 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.564 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 68.5 mm-40 -57.24 -44.11 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.003 0.43 . . . . 0.0 110.775 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -69.6 -47.29 64.03 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.123 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 86' ' ' SER . 96.1 mt -62.21 -36.8 83.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.094 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 86.1 mt -58.9 -42.34 89.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.36 -44.95 67.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.22 -44.35 92.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 9.3 mp -63.61 -44.27 94.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.16 -39.63 94.42 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.93 -42.12 85.87 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.05 -36.93 83.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 96.5 mt -62.15 -35.19 78.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.21 -44.38 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 66.2 mttm -64.83 -40.55 95.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.916 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 97' ' ' ALA . 75.9 mt -60.01 -43.5 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.316 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -62.5 -39.4 93.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.645 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.31 -42.82 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 91.7 mt -63.94 -29.1 70.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.94 -15.01 63.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -91.68 -2.65 56.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -95.16 114.79 26.63 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.82 97.34 7.95 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 . . . . . 0 C--N 1.315 -0.894 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.841 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -178.2 -47.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -87.19 64.54 8.4 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.108 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -68.16 -18.71 64.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.37 -175.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -63.91 -41.83 97.58 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.14 -35.82 69.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.988 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HD3' ' OE2' ' A' ' 106' ' ' GLU . 12.4 mmm180 -62.63 -45.21 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.63 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -70.34 -40.86 73.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.281 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.4 m -61.02 -39.7 90.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.015 0.436 . . . . 0.0 110.12 179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.9 -40.29 97.13 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.27 176.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 28.9 t70 -63.17 -41.56 99.25 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.511 0.196 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.33 -42.02 90.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.91 -48.3 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.471 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' GLY . 84.6 t -58.96 -44.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.61 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 12.9 mm100 -61.59 -43.79 98.2 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.884 0.374 . . . . 0.0 110.635 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.75 87.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.659 ' CD2' HD21 ' A' ' 94' ' ' LEU . 28.4 m-85 -63.41 -37.44 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.146 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 98.4 mt-30 -61.0 -44.57 97.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.306 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 23' ' ' ILE . 61.6 mtm-85 -69.94 -35.25 74.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.396 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.3 -38.59 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.562 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' HG2' HD13 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.53 -45.93 87.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.569 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 49.3 mt-10 -69.7 -45.51 68.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.505 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.1 mt -59.62 -44.75 94.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 120.992 0.425 . . . . 0.0 110.382 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 87' ' ' LEU . 22.4 t80 -64.11 -45.62 87.8 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.227 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.51 -32.89 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.443 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 34.1 mmtp -78.28 -8.78 58.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.627 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 26.88 70.77 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.951 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.84 91.9 8.12 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.936 0.398 . . . . 0.0 110.455 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.59 -26.28 64.38 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.15 -51.38 69.97 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.0 m -74.51 -35.11 63.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 28.0 tp -60.41 -47.43 86.13 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.458 -173.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.82 -43.68 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.997 0.427 . . . . 0.0 111.741 -178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -68.72 -40.05 80.11 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.75 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 31' ' ' SER . 86.8 t -65.79 -36.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.365 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 98.1 mt -59.85 -40.56 88.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.033 0.444 . . . . 0.0 110.296 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.9 -38.73 76.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.354 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.9 mm-40 -60.69 -43.86 97.25 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' ILE . 92.3 mt -61.34 -38.26 79.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.25 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.566 ' HG2' HE22 ' A' ' 44' ' ' GLN . 26.2 tt0 -61.96 -42.56 99.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.64 -37.8 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.578 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 50.7 mt -67.51 -39.54 85.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.691 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.5 mt -61.04 -35.49 65.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.795 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.566 HE22 ' HG2' ' A' ' 40' ' ' GLU . 1.1 mp0 -60.8 -35.65 77.03 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.899 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.01 -44.84 96.82 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -60.64 -44.66 96.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.07 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 32.8 mtt180 -60.51 -42.33 96.17 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.124 0.488 . . . . 0.0 110.15 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.07 -44.31 72.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.568 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.99 -37.72 84.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.279 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -63.33 -45.2 92.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 8.4 t70 -65.44 -40.52 93.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.525 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -70.81 -42.93 69.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.251 -178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -62.85 -37.62 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.721 0.296 . . . . 0.0 111.545 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 25.2 mt-30 -81.31 -74.9 0.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.914 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 5.8 tp10 176.58 -68.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.08 93.49 2.45 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.45 ' HB1' ' CG ' ' A' ' 60' ' ' GLU . . . -135.39 29.02 3.33 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.882 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.4 m -72.19 -43.51 64.42 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.625 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' CG ' ' HB1' ' A' ' 57' ' ' ALA . 9.5 pt-20 -73.83 -31.35 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.058 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.15 86.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.64 91.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.687 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -66.01 -36.57 83.64 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -63.49 -43.01 98.47 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -69.31 -40.94 80.34 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.487 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 15.7 t70 -61.56 -41.52 97.49 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.751 0.42 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.03 -38.25 90.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.936 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -68.27 -36.69 79.78 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.672 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -62.22 -37.9 79.71 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.853 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 78.4 mt-30 -62.55 -31.83 72.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.81 -41.87 78.05 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.11 -34.07 77.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.301 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -60.02 -44.9 94.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.56 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.39 -44.6 92.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.864 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.5 t80 -64.17 -42.54 96.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.719 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 41.7 mt-10 -65.94 -38.81 89.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.21 -35.85 78.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.745 0.307 . . . . 0.0 110.457 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 75' ' ' PHE . 73.9 mt -65.69 -39.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.01 -36.99 83.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 58.5 mmtt -82.56 -12.99 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.535 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.45 26.98 73.31 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.243 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -96.85 96.37 8.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 110.53 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 66.0 tttp -68.9 -27.11 65.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.346 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.67 -49.26 78.43 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.728 0.299 . . . . 0.0 111.37 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 29.7 t -69.49 -34.97 75.1 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 84' ' ' LYS . 67.6 mt -61.66 -46.08 91.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.389 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 20.7 mm-40 -61.35 -42.17 98.26 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.16 0.505 . . . . 0.0 109.783 177.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -62.16 -42.75 99.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.549 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 86' ' ' SER . 97.5 mt -60.82 -36.65 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD13 ' HG2' ' A' ' 21' ' ' ARG . 86.8 mt -64.52 -37.68 88.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.619 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.16 -45.03 64.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.42 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.22 -33.28 74.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 109.626 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.659 HD21 ' CD2' ' A' ' 17' ' ' PHE . 60.3 tp -59.82 -45.38 92.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.68 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.38 -39.69 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.033 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -61.72 -39.93 93.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.927 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.88 -37.74 84.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.657 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 91.6 mt -62.89 -38.87 92.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.087 0.47 . . . . 0.0 110.176 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -62.73 -44.52 95.99 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.43 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -61.73 -41.73 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 97' ' ' ALA . 73.6 mt -63.21 -47.4 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.394 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 98' ' ' LEU . 56.5 mtm180 -62.34 -46.64 87.77 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.72 -176.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 38.1 mt-10 -65.55 -44.12 87.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.822 -177.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.17 -41.67 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.64 -28.43 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.487 ' OE2' ' HD3' ' A' ' 7' ' ' ARG . 15.8 tt0 -91.75 -24.52 19.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 111.278 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -125.21 92.89 3.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.358 0.599 . . . . 0.0 111.804 -175.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -91.84 -21.6 20.55 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.933 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.244 0.775 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.421 179.398 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.7 147.68 22.67 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.483 ' CE1' HD13 ' A' ' 6' ' ' LEU . 21.0 t80 64.57 18.38 11.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.34 -47.59 85.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.142 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -71.39 -38.89 71.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.786 0.327 . . . . 0.0 111.756 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD13 ' CE1' ' A' ' 3' ' ' PHE . 1.3 tt -72.48 -32.77 66.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.049 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.61 -44.53 96.08 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.96 -38.57 86.34 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.232 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.5 m -60.73 -47.01 88.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.692 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.23 -40.29 92.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.875 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.32 -43.07 92.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.377 . . . . 0.0 111.083 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.59 -34.6 75.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.732 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.43 -41.7 90.16 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.4 t -63.35 -45.67 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.821 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.64 -38.2 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.741 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.2 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.58 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD2' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -67.39 -36.88 82.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.6 mm-40 -60.67 -42.71 97.59 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 19' ' ' ARG . 11.6 mmt180 -66.68 -35.29 79.78 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.352 176.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.55 -39.0 89.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.442 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 -62.54 -39.94 95.21 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.055 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -61.27 -46.46 90.28 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.98 0.419 . . . . 0.0 110.424 177.086 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.69 -44.42 99.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.461 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -61.83 -40.33 94.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.47 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.47 -34.58 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 29.0 mtpp -77.7 -16.82 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.47 26.11 66.41 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.408 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.73 92.6 9.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.6 -35.49 78.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.819 -177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.61 -51.13 71.21 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.293 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.1 m -72.48 -35.12 68.13 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.244 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 26.4 tp -61.36 -48.27 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.505 -175.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.46 -42.16 88.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.367 -0.379 . . . . 0.0 112.007 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -66.37 -41.71 89.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.945 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 31' ' ' SER . 69.0 t -62.29 -32.38 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.389 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.6 mt -58.3 -39.6 79.8 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -67.38 -42.28 83.63 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.359 0.6 . . . . 0.0 109.921 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.67 -40.65 97.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.384 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 43' ' ' ILE . 74.8 mt -61.32 -40.0 84.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 178.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.9 -37.75 88.68 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.951 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -42.13 90.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.25 0.548 . . . . 0.0 109.622 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.07 -40.42 82.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.631 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.1 mt -61.09 -41.77 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.249 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.34 -37.01 84.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.006 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -63.41 -43.72 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.894 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.05 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.232 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.629 ' NH2' HE22 ' A' ' 64' ' ' GLN . 3.8 mmp_? -61.59 -35.56 78.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.26 -45.08 70.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 98.1 mt -73.92 -50.56 19.56 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -74.04 -49.06 25.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.3 m-20 -66.95 -24.66 66.09 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.71 -176.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.67 -41.69 95.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' LEU . 10.7 mpt_? -75.44 -31.24 60.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.478 -177.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 67.84 -77.34 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.364 0.665 . . . . 0.0 111.625 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 71.04 -55.98 0.64 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.204 1.002 . . . . 0.0 111.383 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.54 -169.47 1.85 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.436 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.8 150.87 47.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.471 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -61.86 -37.52 84.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.394 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.5 m -66.05 -38.3 88.02 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.89 -40.37 72.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 109.815 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.57 -36.96 68.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -64.68 -39.87 94.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.629 HE22 ' NH2' ' A' ' 47' ' ' ARG . 4.9 pp0? -63.16 -35.84 81.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.554 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.602 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -70.76 -41.72 63.01 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.34 -41.46 93.64 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.212 0.605 . . . . 0.0 111.717 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.38 -38.41 87.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -68.0 -39.92 83.11 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.9 t -60.84 -38.75 79.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.43 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.23 -43.09 99.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.158 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.59 -43.76 84.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.07 -43.28 99.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -62.68 -45.49 92.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -63.3 -38.04 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.5 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.627 ' HA ' HD13 ' A' ' 90' ' ' LEU . 70.1 t80 -66.44 -46.87 75.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.271 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.567 ' NH1' ' HA ' ' A' ' 77' ' ' GLU . 4.5 tmm_? -63.62 -37.36 87.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.08 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 6.5 tp10 -60.69 -46.12 91.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.881 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.57 84.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 75' ' ' PHE . 71.6 mt -65.95 -44.68 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.03 -34.32 77.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.191 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -77.76 -14.82 59.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.733 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.29 31.59 71.71 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.678 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 32.9 t70 -100.92 96.9 7.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.145 0.498 . . . . 0.0 111.299 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -67.21 -25.18 65.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.198 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.4 -49.08 78.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.601 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -71.16 -36.86 72.18 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.557 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 92.6 mt -59.4 -45.13 92.35 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.421 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.25 -41.15 96.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -70.58 -40.99 72.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.416 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.627 HD13 ' HA ' ' A' ' 75' ' ' PHE . 39.8 mt -60.64 -34.78 74.78 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.154 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 92.8 mt -58.02 -39.67 78.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.933 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.79 -44.52 66.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.1 -40.7 98.41 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.009 0.433 . . . . 0.0 110.4 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 54.7 tp -63.99 -45.16 90.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.1 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -56.25 -47.86 77.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.439 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -66.98 -39.15 87.12 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -63.21 -41.08 99.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 95.7 mt -62.96 -44.08 97.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.663 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 77.1 mt-30 -65.81 -40.18 91.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.777 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 85.1 tttt -62.18 -44.96 95.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 97' ' ' ALA . 81.7 mt -62.35 -46.19 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 110.684 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 57.5 ttp180 -63.59 -40.17 96.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.304 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 7.2 tp10 -61.18 -38.48 86.68 Favored 'General case' 0 N--CA 1.419 -1.982 0 C-N-CA 123.185 0.594 . . . . 0.0 110.336 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 93.5 mt -70.05 -41.32 74.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.56 -28.14 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.9 mt-10 -83.74 -2.41 56.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.2 tttp 65.95 73.3 0.38 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 111.198 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -84.04 -10.37 57.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.122 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.126 -174.529 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.702 0.287 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -97.59 -35.07 10.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.483 -178.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 19.3 t80 -73.17 -33.75 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.215 0.531 . . . . 0.0 109.764 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.14 -36.1 82.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.696 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -74.3 -31.14 62.38 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.514 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 3' ' ' PHE . 47.8 tp -61.71 -34.92 76.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.259 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -61.75 -45.14 95.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.495 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.74 -39.22 73.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -64.2 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.498 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.61 95.53 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.116 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.059 0.457 . . . . 0.0 110.259 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' HA ' HE21 ' A' ' 15' ' ' GLN . 10.6 tp10 -60.95 -37.19 81.51 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.771 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -59.96 -44.35 94.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.207 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 62.8 t -66.51 -48.08 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.541 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.514 HE21 ' HA ' ' A' ' 12' ' ' GLU . 23.1 pt20 -68.27 -38.75 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.816 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.0 93.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.915 0.388 . . . . 0.0 110.565 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -67.4 -38.28 84.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.493 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 78.4 mm-40 -61.52 -40.76 95.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 19' ' ' ARG . 7.8 ttp180 -61.99 -37.22 84.01 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.72 -47.08 86.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -65.28 -39.11 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 49.6 mt-10 -65.66 -45.53 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.571 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 35' ' ' VAL . 66.6 mt -66.41 -38.45 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.006 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.99 -39.63 86.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 110.006 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.07 -33.85 76.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.771 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 65.4 mttm -79.82 -18.25 51.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.24 26.97 64.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.313 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' HB3' HG23 ' A' ' 23' ' ' ILE . 12.6 t70 -88.12 94.77 9.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.049 0.452 . . . . 0.0 110.584 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.1 -43.47 82.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.814 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.33 -51.4 70.11 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.826 0.346 . . . . 0.0 111.811 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.9 m -71.35 -32.56 68.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.741 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.69 -45.62 93.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.676 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.32 -40.34 97.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.49 -47.06 87.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 23' ' ' ILE . 50.8 t -62.77 -35.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.908 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.93 -42.78 94.7 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.605 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 48.9 mt-10 -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.633 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.645 ' O ' HG13 ' A' ' 43' ' ' ILE . 80.4 mt -64.43 -38.88 83.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.537 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -65.87 -39.26 90.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.446 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -62.3 -43.97 97.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.8 mt -63.17 -40.19 96.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.307 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 39' ' ' ILE . 69.5 mt -60.35 -41.88 88.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.46 -46.77 72.04 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.356 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 63.3 mttp -61.87 -44.16 97.38 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.605 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -58.18 -47.78 82.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.068 0.461 . . . . 0.0 110.216 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -68.13 -43.49 78.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -69.05 -40.93 78.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -175.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 98.5 mt -61.59 -41.69 97.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.759 0.314 . . . . 0.0 110.992 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -73.88 -44.88 53.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.685 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.0 -36.86 84.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.407 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -68.7 -43.9 75.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.423 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -76.06 -41.15 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 62.01 122.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.392 0.615 . . . . 0.0 111.998 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -134.45 -54.96 0.84 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.39 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.59 0.66 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.109 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.87 33.96 22.61 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -61.54 -42.27 98.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.953 -175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 m -65.28 -42.18 93.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.1 -43.94 70.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 110.646 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.64 91.0 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.664 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 5.5 tmtm? -70.0 -37.16 75.6 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -63.17 -41.31 99.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.79 -35.13 89.21 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.24 -40.92 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.043 0.537 . . . . 0.0 110.733 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -66.82 -35.82 80.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.166 0.508 . . . . 0.0 109.859 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.451 ' HE1' HG12 ' A' ' 43' ' ' ILE . 50.9 t-105 -63.42 -36.63 84.35 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.084 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 65' ' ' GLY . 65.3 t -62.55 -39.32 84.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.979 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.72 -39.16 93.2 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.09 -45.97 91.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.847 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -69.14 -39.11 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.648 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 62.4 tt0 -63.83 -43.22 96.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.124 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -61.72 -38.4 87.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 79' ' ' ILE . 75.5 t80 -61.23 -42.19 98.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.637 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -60.19 -45.11 94.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.76 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 52.1 mt-10 -62.63 -39.59 94.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.109 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.2 90.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 75' ' ' PHE . 72.0 mt -67.21 -40.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.245 0.545 . . . . 0.0 109.869 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.1 -37.58 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.281 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -84.28 -13.5 52.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.855 0.36 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.61 59.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.5 t70 -94.1 94.83 8.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.189 0.518 . . . . 0.0 110.283 -178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.09 -25.31 62.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.576 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.57 -48.28 82.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.3 m -65.64 -37.92 87.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 86.4 mt -59.91 -44.79 94.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.199 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -58.39 -43.15 88.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.595 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.92 -46.55 65.14 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.494 ' O ' HD13 ' A' ' 94' ' ' LEU . 95.3 mt -61.44 -36.48 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.478 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 81.9 mt -57.26 -39.42 75.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.624 0.25 . . . . 0.0 111.431 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.99 -42.57 69.46 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.728 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.37 -42.39 83.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.405 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 90' ' ' LEU . 10.6 mp -62.15 -38.7 90.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.966 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.84 -40.46 84.29 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.987 0.423 . . . . 0.0 111.017 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.34 -40.22 89.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.654 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.55 -37.77 85.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.52 -34.0 76.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.581 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.503 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 62.7 tt0 -63.81 -45.49 89.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.84 -42.29 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.486 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 97' ' ' ALA . 83.1 mt -61.74 -44.97 99.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.736 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.7 ttp-105 -63.01 -37.04 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.915 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 20.0 mm-40 -61.46 -39.3 90.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.372 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.78 -40.78 75.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.485 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.44 66.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 65.43 87.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.656 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -114.19 -5.12 13.03 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.247 -178.246 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' OE1' ' HD2' ' A' ' 102' ' ' ARG . 40.6 mt-10 -81.33 140.21 34.92 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.38 97.3 3.02 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.19 -29.17 67.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -170.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.38 -42.36 59.42 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.502 -0.879 . . . . 0.0 110.165 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.01 -35.53 66.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.82 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -70.62 -33.21 70.76 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.976 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 17.7 tm0? -60.05 -37.33 79.49 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.463 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m -61.53 -44.38 97.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.88 -38.38 89.08 Favored Glycine 0 CA--C 1.522 0.473 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.914 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 20.5 t70 -59.03 -38.43 79.29 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.008 0.523 . . . . 0.0 110.793 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 64.3 mm-40 -59.72 -41.22 90.37 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.67 -47.34 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.489 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.38 -46.08 89.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.148 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 15.0 mm100 -62.38 -40.57 96.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.752 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.01 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.572 ' CD2' HD21 ' A' ' 94' ' ' LEU . 39.4 m-85 -67.67 -38.95 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.107 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 49.5 tt0 -61.52 -43.62 98.54 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -66.67 -38.74 87.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.099 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.44 -42.85 96.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.767 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 91' ' ' LEU . 49.4 ttt180 -63.75 -41.68 97.97 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.29 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 61.9 mt-10 -62.41 -45.45 93.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.617 178.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.12 -41.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.672 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -64.49 -39.84 94.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.252 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.64 -34.41 77.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.332 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -78.45 -17.44 56.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.293 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.97 72.31 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.988 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.02 93.64 9.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.056 0.455 . . . . 0.0 110.547 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.8 -26.95 68.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.799 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -63.19 -51.38 66.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -72.29 -32.77 66.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 19.7 tp -60.63 -45.7 93.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.512 -178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.62 -43.0 99.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.959 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 78.2 mt-30 -63.63 -46.56 85.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.668 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 39' ' ' ILE . 85.3 t -62.78 -35.39 70.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.198 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 mt -59.96 -36.63 77.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.941 0.4 . . . . 0.0 110.281 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.53 -37.65 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.105 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 34' ' ' GLN . 5.6 mm-40 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.468 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 35' ' ' VAL . 91.6 mt -59.71 -37.28 70.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.294 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.64 -40.38 83.23 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.1 -43.42 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.74 -42.24 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 39' ' ' ILE . 92.1 mt -61.01 -45.09 99.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.229 178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 48.3 tp60 -63.63 -43.83 95.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.881 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -62.64 -37.98 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.22 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -59.83 -41.59 91.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.252 0.549 . . . . 0.0 109.527 177.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 71.4 mtp180 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.681 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 79.1 mt-30 -61.37 -43.02 99.58 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.704 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.0 -44.87 95.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.688 0.28 . . . . 0.0 111.578 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -73.92 -37.52 64.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.304 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -69.39 -39.64 77.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.23 -38.87 71.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.397 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' NH2' ' HG3' ' A' ' 108' ' ' LYS . 46.8 ttp180 -72.92 -25.04 60.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.704 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 72.03 93.25 0.08 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.074 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -94.27 152.41 18.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.774 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.6 25.02 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.433 0.635 . . . . 0.0 110.291 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 60' ' ' GLU . . . -134.1 48.18 2.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.361 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.4 -42.81 99.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -66.58 -29.26 69.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 110.642 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HB3' ' HB1' ' A' ' 57' ' ' ALA . 7.7 tp10 -72.05 -45.05 62.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.84 85.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.352 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.12 99.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.672 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -72.39 -35.95 68.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.827 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -63.59 -43.55 96.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.66 -35.72 86.43 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.548 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -61.1 -44.29 97.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -73.86 -33.34 64.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.115 0.483 . . . . 0.0 110.637 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -66.29 -48.4 70.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.835 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.53 -38.64 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.857 0.361 . . . . 0.0 110.263 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -61.66 -38.25 87.05 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.961 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.39 -42.74 99.66 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.328 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -67.35 -41.93 84.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -61.81 -45.19 94.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.124 0.487 . . . . 0.0 109.839 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -59.75 -42.94 94.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.19 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.613 ' HA ' HD13 ' A' ' 90' ' ' LEU . 74.7 t80 -65.12 -44.51 88.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.671 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -64.07 -44.46 92.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.015 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.35 -39.46 94.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.263 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.01 81.6 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 110.579 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.464 HD11 ' CE2' ' A' ' 75' ' ' PHE . 74.0 mt -66.42 -44.97 90.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.916 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.56 -35.22 79.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -76.97 -14.44 59.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.383 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.95 27.92 71.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.492 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.65 96.07 7.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.064 0.459 . . . . 0.0 110.087 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 87' ' ' LEU . 61.9 mttp -71.06 -25.92 62.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.458 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.19 -45.97 91.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -65.87 -37.77 87.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.963 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.62 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 95.9 mt -60.93 -40.25 92.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.454 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.16 -39.44 86.4 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.456 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -69.24 -40.89 77.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.613 HD13 ' HA ' ' A' ' 75' ' ' PHE . 14.5 mt -61.02 -37.27 81.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.422 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.5 mt -59.75 -40.51 88.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.988 0.423 . . . . 0.0 110.596 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 36.0 mm-40 -70.01 -44.76 68.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.597 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.56 -34.99 79.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 17' ' ' PHE . 67.4 tp -62.71 -45.13 94.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.968 176.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -60.45 -41.4 94.02 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.087 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 94.1 mt-30 -65.66 -37.68 87.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -39.9 89.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 97.3 mt -63.44 -32.52 73.98 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.19 -42.4 93.64 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.427 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 60.2 mttm -67.18 -42.04 84.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 72.8 mt -60.24 -45.69 95.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.073 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 23.3 ttp180 -60.6 -46.38 90.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 6.0 mm-40 -60.77 -42.33 97.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.195 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.9 mt -73.4 -41.81 62.88 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.9 -30.65 62.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.52 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 2.1 pt-20 -92.11 -21.74 20.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 119.642 -0.823 . . . . 0.0 112.029 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.52 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 13.6 mptt -82.54 13.85 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 5.2 tmtm? -76.52 86.92 3.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.7 m120 . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.322 -176.457 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.805 0.336 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.42 -27.12 64.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.59 -176.765 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -50.44 -50.09 53.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -63.28 -40.05 96.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.48 -37.2 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 98.4 mt -66.2 -41.49 90.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -63.75 -38.92 92.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.008 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.477 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 57.1 tt0 -61.64 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.148 177.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -64.4 -42.94 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.015 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -60.75 -39.96 97.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.18 -36.58 77.92 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.729 0.411 . . . . 0.0 110.842 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 45.4 mt-10 -64.35 -43.76 93.57 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.25 -46.94 81.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.965 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.3 t -57.68 -45.69 86.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.919 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -63.02 -43.59 98.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.201 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.39 84.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.57 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 58.7 m-85 -68.37 -41.97 79.84 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 81.0 mt-30 -67.83 -35.78 79.2 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.445 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 23' ' ' ILE . 54.4 ttt180 -64.71 -37.06 86.31 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 38.1 tp -60.54 -40.13 90.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 56.0 ttp180 -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.047 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 6.3 mm-40 -61.77 -42.24 98.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.452 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' ARG . 74.8 mt -65.95 -39.89 85.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.11 0.481 . . . . 0.0 110.076 177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -62.11 -45.32 93.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.966 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.93 -29.72 68.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -77.32 -14.49 59.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.178 0.514 . . . . 0.0 110.122 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.3 26.38 63.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.922 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -98.75 93.34 6.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 117.315 0.558 . . . . 0.0 110.423 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.433 ' HA ' HD12 ' A' ' 32' ' ' LEU . 21.4 t70 -63.64 -34.38 77.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.023 -177.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -49.65 76.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.241 -178.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HB2' HG21 ' A' ' 23' ' ' ILE . 21.3 m -67.53 -31.41 71.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.313 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 63.1 mt -60.37 -47.41 86.17 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.437 0.161 . . . . 0.0 111.064 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -63.49 -39.74 95.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.8 -46.74 88.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.842 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' ILE . 93.0 t -67.1 -36.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 87.4 mt -61.03 -37.86 84.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.309 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.18 -37.43 80.96 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.273 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 38.1 mm-40 -63.94 -38.89 92.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 176.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.1 mm -59.64 -37.51 71.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.974 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.74 -44.67 86.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.63 -42.86 91.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.48 . . . . 0.0 109.846 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 87.7 mt -64.33 -39.97 94.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.06 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 39' ' ' ILE . 68.7 mt -59.87 -46.15 94.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.86 -35.87 81.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.516 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.05 -45.76 87.38 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -64.07 -43.27 95.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.813 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' HD3' ' C ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -60.89 -43.08 98.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.146 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -68.43 -43.88 76.18 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.353 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.02 -38.2 87.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.885 0.374 . . . . 0.0 111.05 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.48 ' O ' ' HB3' ' A' ' 53' ' ' ARG . 20.1 t80 -71.31 -34.15 70.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.03 -40.74 52.78 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.567 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.46 -21.83 66.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.57 0.7 . . . . 0.0 109.833 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 5.1 ttp85 -66.18 -38.05 87.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.422 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 56' ' ' ALA . 48.4 tp60 -165.25 93.84 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -178.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.26 -23.22 63.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.599 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.416 ' HB3' HE21 ' A' ' 54' ' ' GLN . . . -71.33 -12.21 61.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.127 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 35.97 4.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.648 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -20.28 62.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.115 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -58.86 -35.33 72.78 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.282 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 mt-10 -68.23 -40.65 82.0 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.305 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.91 99.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.139 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.33 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.53 -35.66 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.672 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 78.3 mm-40 -65.51 -41.13 93.54 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 109.978 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.44 -35.94 92.57 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.13 -40.81 95.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.986 0.422 . . . . 0.0 110.545 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -67.18 -42.21 84.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.058 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.404 ' CD1' HG23 ' A' ' 43' ' ' ILE . 6.1 m95 -60.65 -51.13 70.71 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.296 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.3 t -59.51 -42.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.813 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -62.73 -45.3 93.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.43 -46.71 63.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.775 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.97 -46.22 85.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.826 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.48 -45.34 93.46 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.154 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -65.16 -42.42 93.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.62 0.248 . . . . 0.0 111.332 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.47 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.4 t80 -63.94 -47.93 78.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.847 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -66.69 -37.13 84.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.44 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -62.3 -47.12 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.78 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.292 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 75' ' ' PHE . 70.4 mt -64.68 -47.04 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 120.855 0.359 . . . . 0.0 110.054 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.49 -31.97 72.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.57 -13.37 59.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.316 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.81 69.5 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.265 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 22.4 t70 -102.68 95.96 6.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 111.138 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 87' ' ' LEU . 63.0 tttp -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.78 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.78 -48.58 79.27 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.027 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.472 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.8 m -71.71 -36.21 70.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.6 mt -59.42 -44.17 92.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.439 -177.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -58.47 -45.36 88.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.954 0.407 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -68.28 -42.84 78.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.0 mt -63.2 -36.24 82.97 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.788 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.72 -44.8 93.59 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.25 -44.46 91.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.096 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.51 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.442 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.51 -46.78 81.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.245 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.93 -39.44 90.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.973 0.416 . . . . 0.0 110.562 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -61.81 -36.22 80.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.902 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.53 80.46 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.96 -41.1 97.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.088 0.471 . . . . 0.0 110.111 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -70.16 -44.47 68.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -61.94 -46.1 90.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.86 -39.35 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 36.9 ttp180 -62.1 -46.32 89.57 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.262 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -35.31 77.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.246 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.57 -35.72 80.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.043 0.449 . . . . 0.0 110.291 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.4 -28.29 61.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.451 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 41.8 mt-10 -78.61 -23.81 45.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.772 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 52.61 -124.4 2.28 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.939 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -133.45 -168.58 2.12 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.021 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.551 -0.737 . . . . 0.0 109.719 177.678 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.536 0.208 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.645 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 16.8 mm-40 56.99 63.46 1.91 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.017 0.527 . . . . 0.0 111.413 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.462 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 90.9 m-85 -62.4 -33.22 74.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.039 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 32.5 tt0 -60.58 -45.42 94.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.044 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -72.01 -28.46 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 68.3 mt -64.99 -40.47 95.0 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 3' ' ' PHE . 31.4 mtm180 -66.6 -36.74 83.34 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.271 0.558 . . . . 0.0 109.629 177.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 18.4 mm100 -62.19 -33.17 74.03 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.86 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.9 m -60.01 -43.88 94.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.16 -42.89 91.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.153 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.82 -35.32 74.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -58.44 -47.44 83.96 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.0 t -60.29 -44.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.298 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.78 -41.83 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.49 96.47 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 94' ' ' LEU . 54.9 m-85 -64.91 -36.17 83.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.54 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 85.8 mm-40 -60.57 -42.2 96.15 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -67.17 -42.92 83.48 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.613 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.54 -38.86 85.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.407 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.23 -45.28 91.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.395 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.01 -44.9 87.68 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 31' ' ' SER . 74.5 mt -62.96 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.37 -39.8 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.87 -23.84 67.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.545 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.05 -12.99 27.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.893 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.75 19.35 77.89 Favored Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 113.421 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 12.2 t70 -87.45 93.19 9.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.099 0.476 . . . . 0.0 110.804 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 32' ' ' LEU . 7.0 p-10 -64.91 -30.51 71.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.153 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.35 -50.15 74.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.008 0.432 . . . . 0.0 110.767 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.47 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 15.2 m -69.73 -31.4 69.38 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.576 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 67.8 mt -60.6 -45.95 92.09 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.89 -36.77 80.09 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -60.92 -47.89 84.33 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.695 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 39' ' ' ILE . 61.6 t -70.06 -36.5 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.697 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 89.8 mt -60.52 -36.32 78.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.46 -41.37 84.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.84 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt-10 -62.03 -45.99 91.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.239 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.58 ' O ' HG13 ' A' ' 43' ' ' ILE . 93.4 mt -60.57 -37.83 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.196 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HB2' HH22 ' A' ' 76' ' ' ARG . 11.7 tp10 -58.79 -46.31 87.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -64.5 -43.62 93.55 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.18 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.4 mt -61.48 -40.5 94.78 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.082 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 39' ' ' ILE . 71.1 mt -61.66 -46.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.657 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -36.79 81.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.123 0.487 . . . . 0.0 110.45 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -65.12 -43.02 93.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.329 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.19 -37.07 83.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.515 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -60.65 -36.89 79.82 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.198 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -62.8 -30.7 71.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.749 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 6' ' ' LEU . 85.8 mt -62.06 -43.29 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.315 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.09 -31.89 64.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.394 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -74.78 -42.32 58.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.709 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.3 -48.23 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -76.8 -28.79 55.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? 74.21 134.8 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -123.63 158.23 31.98 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.215 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 115.6 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 62.47 76.22 0.37 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.68 0.613 . . . . 0.0 109.742 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -59.93 -42.32 93.7 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.184 -176.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -58.96 -42.38 89.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 38.6 tt0 -74.64 -44.64 49.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.82 91.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.989 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.53 84.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.278 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.9 tptp -71.83 -30.79 65.85 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.122 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 85.3 mm-40 -62.96 -42.73 99.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -66.33 -35.77 90.71 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.81 -41.52 97.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.801 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.3 mm-40 -65.38 -34.32 78.03 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.269 0.557 . . . . 0.0 109.65 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.443 ' HE1' HG12 ' A' ' 43' ' ' ILE . 64.0 t-105 -67.47 -41.36 84.73 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.869 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -63.31 -39.86 86.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.69 -42.74 99.79 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.304 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.01 -44.79 95.97 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.923 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -66.74 -42.12 86.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.016 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.67 -43.85 92.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 109.896 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.19 -36.79 75.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.041 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.5 t80 -63.76 -43.58 96.0 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.488 178.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.443 HH22 ' HB2' ' A' ' 40' ' ' GLU . 57.9 mtt180 -62.99 -43.23 99.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.97 -39.7 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -36.07 82.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.533 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.5 mt -68.64 -36.95 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.612 176.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.6 -34.71 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.495 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.1 -13.61 58.55 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.72 32.07 73.91 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.5 t70 -101.48 90.82 4.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 87' ' ' LEU . 54.7 mtmt -70.85 -25.46 62.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.86 -49.4 77.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.314 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -71.46 -34.41 70.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.818 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 83.0 mt -59.64 -41.67 91.05 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.291 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.75 -40.38 97.05 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.995 0.426 . . . . 0.0 110.689 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -68.91 -35.72 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.366 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 86' ' ' SER . 90.7 mt -69.38 -36.35 76.71 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.672 178.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 88.4 mt -59.59 -35.94 75.29 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.344 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.77 -44.9 84.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 109.865 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -66.67 -40.46 88.6 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.524 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 17' ' ' PHE . 37.0 tp -61.77 -45.97 91.6 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.904 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.77 -42.79 94.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.386 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.51 -36.95 85.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.105 0.479 . . . . 0.0 110.157 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -62.94 -36.31 83.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.994 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 98.1 mt -62.05 -32.35 72.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.19 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -66.18 -40.35 90.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.387 0.613 . . . . 0.0 109.456 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.11 -41.32 77.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.384 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 97' ' ' ALA . 67.3 mt -61.65 -39.09 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.501 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.2 mtm105 -60.53 -35.24 75.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -69.3 -39.85 78.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 110.296 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.52 -30.23 68.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.629 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.43 61.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.182 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -80.65 -26.19 37.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.7 mttm 53.87 28.07 7.98 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.517 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.41 90.75 3.39 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--N 1.311 -1.08 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.111 -178.75 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 20.1 m . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 120.548 0.213 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -93.97 10.74 32.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 110.724 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -119.9 24.69 10.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 1' ' ' SER . 74.4 mm-40 -59.67 -43.93 93.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -63.01 -41.68 99.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.73 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -63.8 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.116 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.99 -47.56 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.489 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -70.95 -43.88 67.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -60.69 -45.19 96.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.138 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.13 -39.31 82.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.773 0.321 . . . . 0.0 110.967 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.06 -39.18 88.87 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.679 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.3 tp -60.66 -45.46 94.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.986 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 10' ' ' GLY . 58.7 t -61.59 -44.24 98.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 16.1 mm100 -62.64 -45.73 91.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.623 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.77 96.13 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 22.4 m-85 -62.97 -37.52 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' NE2' HG12 ' A' ' 14' ' ' VAL . 49.8 mt-30 -65.64 -36.52 83.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.69 177.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 64.8 mtt180 -62.11 -35.05 77.55 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.4 tp -60.87 -41.06 95.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.98 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HE ' ' HB2' ' A' ' 21' ' ' ARG . 35.1 mtm180 -65.63 -48.27 72.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.196 0.522 . . . . 0.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -42.18 95.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.107 -178.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 28' ' ' ASP . 61.7 mt -67.39 -38.48 80.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 177.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CZ ' HD13 ' A' ' 87' ' ' LEU . 25.9 t80 -60.6 -43.04 97.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.608 176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.6 -27.12 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.049 0.452 . . . . 0.0 110.568 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -77.95 -17.57 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.385 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.22 27.53 73.63 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.768 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' HB3' HG23 ' A' ' 23' ' ' ILE . 6.7 t70 -93.59 93.0 7.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.979 0.419 . . . . 0.0 110.752 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.14 -28.84 69.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.398 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.26 -50.67 52.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -68.13 -29.93 68.96 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.21 -38.86 80.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.011 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.81 -39.34 93.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 111.394 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 85.9 mm-40 -63.17 -40.84 98.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.629 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.4 t -62.73 -35.64 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.72 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.56 -37.83 82.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 110.266 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.42 -37.67 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.971 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 58.8 mt-10 -65.91 -45.69 81.01 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.044 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.2 mm -59.74 -37.87 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.375 179.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.01 -47.38 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.182 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -69.67 -46.37 66.26 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.074 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 75.1 mt -61.51 -40.68 95.48 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.195 -175.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.92 -46.16 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.629 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.05 -41.63 97.32 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.131 0.491 . . . . 0.0 110.838 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -69.86 -44.26 70.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.78 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -64.94 -38.68 91.77 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.237 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.49 -42.88 97.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.13 -45.12 82.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.63 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 93.3 mt -67.41 -46.55 72.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.9 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.62 -39.31 94.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.744 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.65 -20.36 60.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.439 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.9 mmp_? -72.58 -25.36 61.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.461 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -133.95 -158.17 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -149.15 127.13 11.91 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.87 31.23 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.464 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.927 0.394 . . . . 0.0 111.098 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.51 -25.44 66.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.997 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.8 m -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.108 0.48 . . . . 0.0 110.359 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.11 -39.87 82.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.336 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.93 79.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.525 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.372 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.18 -42.47 75.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -66.2 -42.52 88.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.132 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.57 -36.21 87.78 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.863 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -41.0 95.23 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.38 -41.06 89.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.448 ' HZ2' ' CZ ' ' A' ' 17' ' ' PHE . 74.8 t-105 -68.01 -46.75 70.38 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.783 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.91 -38.4 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.88 -39.75 93.02 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.404 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.28 -47.34 84.74 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.822 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -68.42 -36.87 79.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -61.95 -42.06 98.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -64.74 -37.69 88.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.022 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -61.56 -45.37 94.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -63.84 -44.02 94.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.42 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.44 -42.54 98.92 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.178 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.47 88.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.27 -46.09 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.355 0.597 . . . . 0.0 109.877 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.6 -37.41 87.22 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.827 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -87.39 -9.29 55.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.939 0.399 . . . . 0.0 111.32 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.81 66.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.091 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.476 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.27 87.61 7.46 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 87' ' ' LEU . 24.7 pttm -70.66 -26.41 63.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.129 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.29 -42.85 99.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 19.9 m -70.52 -39.46 74.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 84' ' ' LYS . 94.8 mt -59.54 -43.44 93.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.196 -179.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.58 -46.45 83.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.178 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 46.8 tt0 -70.2 -40.82 74.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.573 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 86' ' ' SER . 93.5 mt -60.75 -36.18 78.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.728 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.8 mt -60.02 -43.23 95.39 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.187 0.517 . . . . 0.0 110.031 176.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.36 -44.43 75.25 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.253 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 45.3 mm-40 -63.26 -41.83 99.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.62 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 98' ' ' LEU . 42.9 tp -61.53 -45.33 94.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.295 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.13 -43.05 91.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -66.39 -39.42 89.04 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.48 96.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.29 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.3 mm? -66.79 -32.9 74.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.12 -40.62 96.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 88.3 tttt -64.06 -41.11 97.48 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.116 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.51 -38.29 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.368 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -61.0 -36.65 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.982 0.42 . . . . 0.0 110.132 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.85 -38.77 76.58 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.141 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 98.6 mt -65.56 -33.69 76.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.08 -15.63 62.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -91.43 -25.08 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt 175.7 119.26 0.02 OUTLIER 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.873 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 109' ' ' ASN . 12.1 tttm -70.71 -47.97 56.99 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 108' ' ' LYS . 29.6 t30 . . . . . 0 C--O 1.243 0.713 0 O-C-N 123.997 0.811 . . . . 0.0 109.776 -175.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.411 ' H2 ' ' CD ' ' A' ' 106' ' ' GLU . 17.1 m . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 121.206 0.527 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -93.84 -42.98 8.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.806 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.554 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 97.0 m-85 -84.73 96.55 9.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.83 -47.4 86.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -66.78 -37.72 85.14 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.521 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 HD11 ' HB1' ' A' ' 105' ' ' ALA . 9.8 tt -65.5 -42.86 91.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.796 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 10.2 mmm180 -63.21 -43.77 97.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.8 -45.45 92.58 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.589 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.36 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -62.93 -40.52 99.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.548 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.1 t70 -66.23 -40.88 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.612 0.244 . . . . 0.0 110.557 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.79 -36.83 80.0 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.098 177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.92 -46.13 91.89 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.992 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' GLY . 87.4 t -58.73 -44.16 89.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 64.1 mt-30 -62.27 -39.53 93.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 110.221 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.07 92.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.905 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -67.12 -38.92 86.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.687 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.59 -38.54 91.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.174 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -65.03 -44.02 90.51 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.36 -37.75 84.51 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.868 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -58.16 -45.68 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.288 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -69.02 -40.79 78.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.084 0.469 . . . . 0.0 110.517 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.22 -42.0 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.34 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.69 -43.29 97.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.559 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.66 -34.11 77.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.885 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.73 -18.48 54.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.676 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.37 73.12 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.135 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -85.79 93.23 8.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 110.481 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.72 -26.68 67.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.522 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.46 -53.11 53.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.496 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.8 p -74.09 -31.16 62.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 5.0 tt -59.23 -47.64 84.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.952 -174.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.0 -36.52 82.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.25 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.12 -39.16 93.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 39' ' ' ILE . 94.3 t -68.02 -35.09 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 90.0 mt -60.23 -36.24 77.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -63.37 -44.35 95.01 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.667 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.754 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 43' ' ' ILE . 84.1 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 177.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG2' HE21 ' A' ' 44' ' ' GLN . 39.9 tt0 -60.24 -40.68 91.1 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.687 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.04 -42.58 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -67.25 -39.89 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.406 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.3 mt -60.7 -46.15 96.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.527 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.44 HE21 ' HG2' ' A' ' 40' ' ' GLU . 76.3 mt-30 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.305 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -61.23 -45.69 93.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.277 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -66.37 -43.48 85.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.654 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -62.11 -43.95 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.826 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -42.27 75.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.689 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.56 -43.44 98.82 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 110.935 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -69.56 -39.8 77.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.24 -34.13 74.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.016 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.91 -34.21 74.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.464 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -65.28 -25.13 67.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.699 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 71.39 100.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.69 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -163.53 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.922 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -112.82 -29.81 7.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.664 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.34 175.88 0.28 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.295 0.638 . . . . 0.0 110.732 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -43.3 99.12 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.6 m -65.05 -44.93 87.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 10.3 tp10 -75.14 -37.07 61.5 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.21 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.7 99.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.779 0.324 . . . . 0.0 110.813 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.71 83.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -67.03 -44.44 80.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.782 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -68.87 -39.93 79.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.543 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.14 -40.26 96.75 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.107 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.69 -41.78 98.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.67 0.271 . . . . 0.0 111.355 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -65.19 -39.1 92.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -68.92 -44.83 72.32 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.083 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 65' ' ' GLY . 97.8 t -67.39 -40.59 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.83 -27.23 69.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.612 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.07 -43.98 95.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.67 -34.32 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.326 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -60.58 -45.37 94.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.252 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 74' ' ' ARG . 27.4 mmt180 -64.3 -37.12 86.36 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.505 ' O ' HG13 ' A' ' 79' ' ' ILE . 72.8 t80 -60.14 -46.75 88.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -64.97 -36.89 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -44.46 75.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.17 -35.91 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.5 mt -62.51 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.216 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.753 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -78.05 -14.59 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.881 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.47 25.76 75.18 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.549 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 8.1 t70 -89.39 92.85 9.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 87' ' ' LEU . 60.5 mttp -71.47 -33.39 69.27 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.63 -35.42 80.74 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.82 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 34.3 m -70.62 -39.68 73.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 97.4 mt -59.58 -48.48 81.51 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.185 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.18 -44.11 96.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.2 -40.25 95.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.867 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 86' ' ' SER . 92.5 mt -64.58 -36.8 85.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.017 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 96.5 mt -64.7 -45.09 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.949 0.404 . . . . 0.0 110.222 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.26 -44.91 90.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.414 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.05 -34.74 78.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.923 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.06 -47.04 88.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.207 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.36 -42.51 92.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.464 . . . . 0.0 110.963 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.11 -36.8 85.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.076 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.59 -37.97 86.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.185 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.48 -40.46 96.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 14.2 mm100 -63.53 -44.24 94.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.38 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -61.57 -45.83 92.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 97' ' ' ALA . 82.6 mt -60.21 -44.99 96.65 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -60.37 -46.71 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.105 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 7.1 mm-40 -64.54 -44.61 90.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.076 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 105' ' ' ALA . 4.2 pp -73.94 -35.66 64.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 6' ' ' LEU . . . -75.03 -31.91 61.45 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CD ' ' H2 ' ' A' ' 1' ' ' SER . 28.1 mt-10 -93.69 -24.53 17.82 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.617 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? 58.05 108.03 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.462 0.705 . . . . 0.0 112.09 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -74.42 98.43 3.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.018 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.715 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 62.95 -87.58 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -131.61 81.08 1.96 Allowed 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -59.63 -34.38 72.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.364 -172.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -63.08 -41.63 99.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 110.003 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.44 -36.75 65.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.492 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -63.39 -47.13 83.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.256 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -64.79 -45.55 85.8 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.705 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 m -68.1 -37.03 80.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.068 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -61.71 -44.31 98.08 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.381 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 20.8 t70 -69.47 -38.12 77.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.192 0.52 . . . . 0.0 109.995 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.66 -38.93 86.52 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.241 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' O ' ' HD1' ' A' ' 17' ' ' PHE . 73.7 mt -63.34 -44.35 95.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.178 176.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 98.3 t -58.24 -40.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.63 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 73.8 mt-30 -61.36 -44.62 96.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.1 77.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.519 ' HD1' ' O ' ' A' ' 13' ' ' LEU . 37.2 m-85 -63.33 -37.11 85.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.494 178.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 15.7 mm100 -60.92 -38.1 84.59 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 98.6 mtt180 -62.98 -40.67 98.45 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.623 177.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.3 tp -60.83 -45.61 93.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.829 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -65.15 -45.3 85.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.71 -47.02 87.19 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.524 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.432 HD12 ' CG2' ' A' ' 35' ' ' VAL . 72.3 mt -67.07 -38.3 80.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.17 -39.46 86.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.503 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.13 -30.25 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -77.81 -18.44 56.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.238 0.542 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 14.93 80.37 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.47 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -91.72 93.37 8.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.243 0.544 . . . . 0.0 110.498 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.21 -26.83 68.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.623 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -65.96 -51.37 59.05 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.536 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.3 m -68.09 -32.19 72.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.172 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.88 -36.5 84.13 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.225 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.42 -39.84 94.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.811 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' ILE . 49.0 t -61.98 -34.4 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.585 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.2 mt -59.14 -39.36 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.68 -42.75 95.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.454 . . . . 0.0 110.413 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.07 -37.32 86.74 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.165 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 35' ' ' VAL . 47.2 mm -64.19 -38.76 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.945 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.5 mt-10 -58.85 -45.67 89.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.18 -45.67 90.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.545 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.55 -39.55 84.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.329 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.1 mt -60.14 -44.47 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.69 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -62.33 -42.03 99.05 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.145 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -45.48 85.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.263 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -68.24 -39.48 82.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -62.89 -38.1 89.55 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.025 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -62.89 -42.54 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.735 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.09 -42.25 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -72.09 -37.73 69.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.571 ' OD2' ' HA ' ' A' ' 56' ' ' ALA . 21.5 t70 -63.49 -41.72 98.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.16 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.81 -29.4 64.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.202 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.365 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -74.83 -87.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.983 0.42 . . . . 0.0 110.282 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.22 25.28 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.358 -178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.571 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 66.67 92.85 0.08 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.244 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.3 70.77 1.36 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.195 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.051 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.1 m -68.24 -39.91 82.14 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.77 -45.36 61.9 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.21 -29.34 70.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.59 73.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.667 0.27 . . . . 0.0 110.75 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -76.66 -38.93 53.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.179 0.514 . . . . 0.0 109.804 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.1 -35.92 91.53 Favored Glycine 0 C--O 1.217 -0.939 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.665 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -60.93 -41.89 97.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.754 0.277 . . . . 0.0 111.272 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -71.35 -40.5 70.63 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.232 0.539 . . . . 0.0 110.043 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -64.99 -48.97 72.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -67.95 -38.84 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.031 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 56.8 tt0 -63.08 -30.67 71.78 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.801 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.76 -45.27 94.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -68.53 -33.73 74.63 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -60.23 -41.98 94.26 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 79.8 mtt180 -59.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' ' 79' ' ' ILE . 53.0 t80 -63.78 -43.43 96.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.718 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -60.53 -43.89 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.295 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.68 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.9 mm-40 -60.3 -46.06 91.19 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.91 -38.7 83.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.641 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 75' ' ' PHE . 43.5 mm -63.7 -45.08 98.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 0.0 109.991 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.58 -37.7 80.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.973 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 26.4 mmtp -84.25 -13.72 51.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.904 -178.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.05 41.93 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.176 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -93.95 96.98 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HD3' HD12 ' A' ' 87' ' ' LEU . 13.6 tppt? -71.6 -37.53 70.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.4 -176.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -66.86 -34.37 77.64 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -175.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 38.3 m -68.49 -32.98 73.35 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.056 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 91.0 mt -58.05 -46.28 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.68 -37.92 89.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.57 -44.29 74.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.997 0.427 . . . . 0.0 110.411 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 86' ' ' SER . 86.3 mt -62.62 -36.85 84.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.14 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 87.3 mt -60.85 -35.68 77.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.966 178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 tp10 -65.53 -45.87 81.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.8 -40.08 76.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 110.134 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 98' ' ' LEU . 45.1 tp -61.98 -40.64 96.3 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.136 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 12.1 tp10 -59.23 -39.24 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.54 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 84.3 mm-40 -60.23 -39.51 86.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.269 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.97 82.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.657 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 94' ' ' LEU . 4.2 mm? -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.655 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 86.0 mm-40 -62.53 -42.06 99.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 23.7 ttmm -67.03 -41.05 87.24 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.494 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.66 -41.34 91.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.924 0.392 . . . . 0.0 110.521 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 102' ' ' ARG . 61.4 mtt85 -60.65 -46.75 89.12 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' HB2' ' HE2' ' A' ' 108' ' ' LYS . 10.3 pt-20 -72.67 -30.71 64.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 78.7 mt -68.45 -41.36 80.38 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.83 -27.28 62.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.162 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -83.2 -16.3 47.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.862 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? 57.95 49.6 11.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.298 -177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 103' ' ' GLU . 38.4 ttpt -61.86 -45.54 93.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.527 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 118.583 -0.722 . . . . 0.0 109.435 179.159 . . . . . . . . 0 0 . 1 stop_ save_