data_2kug_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 2kug _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.508 -0.642 0 N-CA-C 107.172 -1.418 . . . . 0.02 107.172 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -59.33 158.84 8.65 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 118.055 -1.458 . . . . 0.029999999999999999 110.36 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -29.48 2.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 125.661 1.851 . . . . 0.029999999999999999 114.629 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.83 -64.88 0.69 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 125.206 1.566 . . . . 0.029999999999999999 111.007 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -57.79 -44.13 86.06 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 116.039 -2.264 . . . . 0.02 115.16 -175.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -53.26 -48.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 113.578 -1.646 . . . . 0.029999999999999999 113.822 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -49.67 74.05 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 113.844 -1.525 . . . . 0.02 111.019 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.82 -36.81 70.38 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.032 -1.467 . . . . 0.029999999999999999 113.82 173.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.58 -33.86 74.6 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 117.681 -1.608 . . . . 0.02 113.853 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -64.14 -43.38 95.4 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 113.637 -1.62 . . . . 0.02 111.455 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.99 -38.9 90.32 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 117.403 -1.719 . . . . 0.029999999999999999 113.195 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.24 77.46 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.933 -1.031 . . . . 0.029999999999999999 112.105 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.74 -46.91 87.69 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 126.613 2.445 . . . . 0.02 112.057 174.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 t -56.24 -45.61 79.9 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 123.635 1.683 . . . . 0.17000000000000001 113.219 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 123.91 1.814 . . . . 0.029999999999999999 114.994 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 18.5 m-30 -78.8 -57.07 3.94 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 112.259 -2.246 . . . . 0.02 112.215 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.69 73.31 5.84 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 128.189 3.43 . . . . 0.029999999999999999 111.679 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HZ1' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.25 -24.1 67.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 109.636 -3.438 . . . . 0.029999999999999999 115.312 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.88 -22.22 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 112.378 -2.192 . . . . 0.029999999999999999 112.284 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 31.05 72.66 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 112.922 -1.945 . . . . 0.02 114.153 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -77.84 -2.88 38.78 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 115.134 1.531 . . . . 0.02 115.134 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.54 18.15 79.31 Favored Glycine 0 CA--C 1.524 0.649 0 O-C-N 124.75 1.281 . . . . 0.02 115.666 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -151.0 116.07 5.29 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.246 1.974 . . . . 0.02 111.306 -172.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.0 mt -82.08 117.95 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 CA-C-N 112.736 -2.029 . . . . 0.02 110.27 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.422 ' HG1' ' HG3' ' A' ' 31' ' ' GLU . 2.4 p -86.63 170.13 12.1 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 115.261 -2.576 . . . . 0.02 114.183 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -63.02 -41.9 99.65 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-O 129.615 4.531 . . . . 0.02 112.952 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 7.8 tptm -61.78 -42.66 99.28 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.633 -3.439 . . . . 0.029999999999999999 111.579 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.2 mt-10 -57.34 -38.55 74.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.201 -2.727 . . . . 0.02 112.492 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 tm? -52.8 -38.27 60.96 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 125.746 1.904 . . . . 0.02 111.292 175.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.94 -53.46 36.67 Favored Glycine 0 C--N 1.343 0.951 0 C-N-CA 118.134 -1.984 . . . . 0.029999999999999999 112.079 173.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.7 m -54.14 -45.79 72.08 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.007 -1.596 . . . . 0.02 114.127 173.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.8 t -51.69 -69.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 127.241 2.217 . . . . 0.02 113.076 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.406 ' HE1' HG13 ' A' ' 35' ' ' VAL . 29.5 mmt -59.12 -38.29 79.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 125.024 2.345 . . . . 0.02 112.188 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -30.22 71.39 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 112.655 -2.066 . . . . 0.02 115.191 175.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.7 p -75.45 -29.25 59.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 117.642 -1.623 . . . . 0.02 111.64 -174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.62 -2.2 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 113.16 -1.836 . . . . 0.029999999999999999 112.553 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.96 66.16 1.32 Allowed Glycine 0 C--O 1.218 -0.887 0 CA-C-N 113.246 -1.797 . . . . 0.02 110.674 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -152.72 170.8 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.587 -1.264 . . . . 0.02 107.587 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -132.83 101.35 14.07 Favored Pre-proline 0 CA--C 1.504 -0.796 0 C-N-CA 117.977 -1.489 . . . . 0.02 111.586 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -85.3 150.97 10.58 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 O-C-N 127.978 3.62 . . . . 0.02 112.132 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' HD12 ' A' ' 48' ' ' LEU . 98.0 m -86.0 164.55 17.31 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 113.541 -1.663 . . . . 0.02 109.627 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.38 -40.7 65.22 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 118.077 -1.449 . . . . 0.02 112.535 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.37 84.55 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 111.369 -2.651 . . . . 0.01 110.604 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.4 -25.1 61.72 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 114.796 -2.762 . . . . 0.02 114.353 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -71.08 -44.99 64.6 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 115.033 -2.667 . . . . 0.02 113.485 178.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -65.26 -40.23 93.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 111.438 -2.619 . . . . 0.02 114.575 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -80.29 -46.74 15.66 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 111.577 -2.556 . . . . 0.01 111.049 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.568 ' O ' HG21 ' A' ' 55' ' ' VAL . 23.1 mmt -55.34 -39.49 70.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.142 -1.423 . . . . 0.02 113.756 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.445 HG22 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -63.61 -58.69 6.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 C-N-CA 117.864 -1.534 . . . . 0.02 110.999 174.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -58.16 -33.05 68.79 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 123.994 1.854 . . . . 0.02 115.665 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.77 ' HG3' HG12 ' A' ' 55' ' ' VAL . 15.9 pt-20 -64.9 -25.88 68.08 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 113.564 -1.653 . . . . 0.01 114.328 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.77 HG12 ' HG3' ' A' ' 54' ' ' GLU . 33.5 m -118.1 16.24 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 125.287 1.617 . . . . 0.02 114.079 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.44 116.35 25.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 123.273 1.511 . . . . 0.02 110.731 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.19 -26.06 25.32 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 114.465 -2.894 . . . . 0.02 114.002 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -92.02 -14.62 29.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.374 1.671 . . . . 0.02 114.776 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.35 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 116.187 -2.911 . . . . 0.02 113.48 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -75.05 -32.61 61.59 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 115.554 1.687 . . . . 0.02 115.554 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.63 31.46 6.06 Favored Glycine 0 C--N 1.339 0.723 0 O-C-N 124.707 1.254 . . . . 0.02 115.777 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -152.84 161.03 43.07 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 126.144 1.732 . . . . 0.02 108.503 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 HG12 HG22 ' A' ' 52' ' ' ILE . 30.6 mm -125.05 136.27 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 115.09 -2.644 . . . . 0.02 111.345 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.566 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 18.3 p30 -110.89 179.35 4.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 123.914 1.816 . . . . 0.02 112.846 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.22 -50.97 84.45 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 117.813 2.523 . . . . 0.029999999999999999 117.813 173.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 31.2 Cg_exo -47.89 -44.9 26.13 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 116.52 1.7 . . . . 0.02 116.52 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -69.28 -40.9 77.46 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.082 0.953 . . . . 0.02 109.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CE1' ' HE2' ' A' ' 19' ' ' PHE . 90.1 t80 -56.64 -42.0 78.15 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 118.859 -1.136 . . . . 0.02 111.701 174.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -40.8 96.91 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.399 1.259 . . . . 0.02 114.399 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 117.125 -1.83 . . . . 0.17999999999999999 113.377 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -58.24 -42.07 85.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 125.048 2.356 . . . . 2.6000000000000001 111.31 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mmm -59.97 -35.6 75.35 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 113.447 -1.706 . . . . 0.02 114.869 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.41 0 CA-C-N 112.916 -1.947 . . . . 0.02 113.134 172.4 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.503 -0.841 0 N-CA-C 106.209 -1.775 . . . . 0.02 106.209 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -52.52 154.09 2.74 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 125.483 1.739 . . . . 0.029999999999999999 110.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -45.44 -28.84 0.97 Allowed 'General case' 0 C--O 1.222 -0.389 0 O-C-N 125.208 1.568 . . . . 0.029999999999999999 114.812 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.01 -64.25 0.89 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.925 -1.488 . . . . 0.029999999999999999 108.92 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.52 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.09 -46.57 79.01 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 116.323 1.971 . . . . 0.02 116.323 -179.55 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.3 mt -50.41 -48.98 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 113.973 -1.467 . . . . 0.029999999999999999 112.999 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.43 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 113.741 -1.572 . . . . 0.02 112.826 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.29 -29.9 66.21 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.825 1.417 . . . . 0.029999999999999999 114.825 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.1 m-85 -61.19 -41.95 97.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.904 -1.918 . . . . 0.02 112.403 169.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.06 -36.7 82.41 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 117.54 -1.664 . . . . 0.02 113.642 171.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.1 -43.49 95.54 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 116.668 -2.013 . . . . 0.029999999999999999 113.558 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.13 69.61 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.199 -1.364 . . . . 0.029999999999999999 113.279 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.19 -44.46 83.62 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.778 -2.01 . . . . 0.02 113.294 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 t -56.3 -37.06 69.37 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 122.979 1.371 . . . . 0.17000000000000001 113.342 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.74 -24.99 59.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 113.805 -1.543 . . . . 0.029999999999999999 113.098 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CD1' HG21 ' A' ' 35' ' ' VAL . 15.9 m-30 -74.32 -55.72 5.69 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-N 113.75 -1.568 . . . . 0.02 111.241 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.34 73.37 3.91 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 127.224 2.827 . . . . 0.029999999999999999 111.608 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -30.66 69.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 112.389 -2.187 . . . . 0.029999999999999999 113.666 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -84.59 -20.89 30.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 111.772 -2.467 . . . . 0.029999999999999999 112.558 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.93 25.36 74.99 Favored Glycine 0 C--N 1.348 1.237 0 C-N-CA 117.35 -2.357 . . . . 0.02 113.214 -174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.33 -3.87 35.97 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 114.775 1.398 . . . . 0.02 114.775 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.63 74.58 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 114.395 -1.275 . . . . 0.02 114.695 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -153.94 130.4 10.59 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 123.34 1.543 . . . . 0.02 110.833 -176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.0 mt -82.25 116.14 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 116.086 -2.246 . . . . 0.02 110.285 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -85.94 165.38 16.79 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 116.437 -2.105 . . . . 0.02 112.929 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 10.7 p -60.01 -42.66 94.77 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-O 130.594 4.997 . . . . 0.02 110.47 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.02 -44.3 94.68 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 109.426 -3.533 . . . . 0.029999999999999999 113.12 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.5 mt-10 -56.24 -44.05 79.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 125.367 1.667 . . . . 0.02 111.824 174.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.89 -39.39 58.96 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 123.52 1.629 . . . . 0.02 112.56 173.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.27 -48.61 73.74 Favored Glycine 0 C--O 1.219 -0.794 0 C-N-CA 116.829 -2.605 . . . . 0.029999999999999999 112.216 174.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 m -55.84 -43.7 77.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.055 -1.458 . . . . 0.02 114.792 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.674 HG21 ' CD1' ' A' ' 19' ' ' PHE . 72.7 t -52.8 -68.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 125.465 1.728 . . . . 0.02 112.628 175.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.2 mmt -55.99 -39.63 72.15 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 124.196 1.95 . . . . 0.02 112.763 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.27 -36.49 77.95 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 112.557 -2.111 . . . . 0.02 114.978 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -67.67 -35.15 78.32 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 123.052 1.406 . . . . 0.02 111.703 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.68 -1.0 14.62 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 111.967 -2.379 . . . . 0.029999999999999999 113.368 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.36 55.79 1.53 Allowed Glycine 0 C--N 1.344 0.992 0 CA-C-N 113.957 -1.474 . . . . 0.02 112.63 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -146.28 176.57 9.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 119.02 -1.072 . . . . 0.02 109.102 -176.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -136.79 101.3 9.66 Favored Pre-proline 0 N--CA 1.471 0.596 0 C-N-CA 118.087 -1.445 . . . . 0.02 112.135 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 137.01 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 O-C-N 126.052 2.606 . . . . 0.02 112.065 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.555 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 m -74.82 171.49 13.89 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 113.599 -1.637 . . . . 0.02 109.696 174.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.1 -40.64 67.46 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 118.523 -1.271 . . . . 0.02 113.494 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.93 -46.16 71.45 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 127.228 2.83 . . . . 0.01 109.212 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.555 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.47 -23.9 67.6 Favored 'General case' 0 C--O 1.205 -1.264 0 C-N-CA 114.601 -2.84 . . . . 0.02 114.454 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.42 -48.81 38.26 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 113.93 -3.108 . . . . 0.02 112.679 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -47.91 83.94 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 110.834 -2.894 . . . . 0.02 112.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.16 -42.51 62.73 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.278 -2.237 . . . . 0.01 111.582 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.47 ' HA ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.76 -31.95 73.42 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.684 -2.006 . . . . 0.02 114.267 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.594 HG22 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.14 -56.52 14.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.391 -1.724 . . . . 0.02 111.101 169.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -58.99 -31.83 69.13 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 123.792 1.758 . . . . 0.02 115.185 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HG3' HG12 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.91 -24.65 66.88 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.201 -1.818 . . . . 0.01 114.345 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.692 HG12 ' HG3' ' A' ' 54' ' ' GLU . 30.4 m -118.77 12.97 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 O-C-N 125.142 1.526 . . . . 0.02 113.923 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -85.07 118.16 24.47 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 123.003 1.382 . . . . 0.02 110.285 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.66 -24.38 20.5 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 114.421 -2.911 . . . . 0.02 113.532 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -92.98 -15.01 26.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 112.972 -1.922 . . . . 0.02 114.894 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 14.24 82.11 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 116.281 -2.866 . . . . 0.02 113.65 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -76.9 -33.64 57.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 115.017 1.488 . . . . 0.02 115.017 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.81 28.59 7.75 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 115.845 1.098 . . . . 0.02 115.845 -175.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -153.91 159.66 41.83 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 126.431 1.901 . . . . 0.02 108.305 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.594 HG12 HG22 ' A' ' 52' ' ' ILE . 17.0 mm -124.54 143.37 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 115.354 -2.539 . . . . 0.02 110.891 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.609 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 27.7 p-10 -112.33 -173.33 2.22 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 124.62 2.152 . . . . 0.02 113.569 173.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.258 39.3 t80 -59.36 -51.27 82.58 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 118.586 2.81 . . . . 0.029999999999999999 118.586 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 52.3 Cg_exo -47.07 -51.48 9.3 Favored 'Trans proline' 0 C--N 1.366 1.48 0 N-CA-C 116.503 1.693 . . . . 0.02 116.503 174.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.24 -36.49 84.29 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.292 1.52 . . . . 0.02 111.321 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.79 -44.63 96.48 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 117.143 -1.823 . . . . 0.02 112.278 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.55 -40.65 95.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.857 -1.152 . . . . 0.02 112.989 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -61.39 -38.73 88.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 123.599 1.666 . . . . 0.17999999999999999 112.76 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -42.53 95.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 113.006 -1.906 . . . . 2.6000000000000001 112.169 172.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.494 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.71 -30.35 65.45 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 115.3 1.592 . . . . 0.02 115.3 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 117.495 -1.682 . . . . 0.02 113.187 171.73 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 108.205 -1.035 . . . . 0.02 108.205 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 p -60.98 157.85 14.61 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 117.157 -1.817 . . . . 0.029999999999999999 110.838 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.29 -30.4 3.07 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 115.328 1.603 . . . . 0.029999999999999999 115.328 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.03 -61.98 1.92 Allowed 'General case' 0 C--N 1.344 0.346 0 O-C-N 125.523 1.764 . . . . 0.029999999999999999 110.915 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -60.46 -46.44 90.07 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 116.642 -2.023 . . . . 0.02 114.714 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -50.53 -47.55 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 114.427 -1.26 . . . . 0.029999999999999999 113.831 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -55.35 -51.03 68.11 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 113.874 -1.512 . . . . 0.02 112.006 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.43 -22.98 67.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 115.12 1.526 . . . . 0.029999999999999999 115.12 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -62.11 -36.56 82.12 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 116.903 -1.919 . . . . 0.02 111.454 170.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.43 -43.84 93.03 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 118.593 -1.243 . . . . 0.02 112.6 170.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.41 -36.65 80.92 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 124.137 1.923 . . . . 0.029999999999999999 113.55 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.27 89.94 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.892 -1.504 . . . . 0.029999999999999999 113.037 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -54.97 -47.28 74.77 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.381 -2.191 . . . . 0.02 111.013 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -54.55 -40.08 68.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 113.454 -1.703 . . . . 0.17000000000000001 113.605 174.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.74 -39.7 71.5 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 117.266 -1.774 . . . . 0.029999999999999999 114.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' HB2' HG12 ' A' ' 27' ' ' ILE . 38.5 m-85 -72.63 -63.54 1.14 Allowed 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 116.532 -2.067 . . . . 0.02 109.924 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -81.43 75.72 8.38 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 125.877 1.985 . . . . 0.029999999999999999 113.193 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -21.88 65.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 117.136 -1.826 . . . . 0.029999999999999999 114.538 -175.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.86 -21.14 34.43 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 112.12 -2.309 . . . . 0.029999999999999999 112.907 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.35 27.5 71.44 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 117.199 -2.429 . . . . 0.02 114.054 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -75.48 -6.47 50.32 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.055 1.132 . . . . 0.02 114.055 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.09 20.53 77.42 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 125.105 1.503 . . . . 0.02 114.481 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -150.06 116.4 5.74 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 123.98 1.847 . . . . 0.02 111.166 -174.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 HG12 ' HB2' ' A' ' 19' ' ' PHE . 96.4 mt -83.21 114.72 24.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 113.145 -1.843 . . . . 0.02 109.66 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -82.44 165.87 19.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 124.302 2.001 . . . . 0.02 113.993 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.9 p -61.34 -43.81 98.24 Favored 'General case' 0 N--CA 1.467 0.412 1 CA-C-O 128.618 4.056 . . . . 0.02 111.695 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.47 -39.48 70.43 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 109.775 -3.375 . . . . 0.029999999999999999 114.098 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.13 -41.06 90.99 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 111.84 -2.436 . . . . 0.02 113.421 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -47.94 -49.87 28.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 124.578 2.132 . . . . 0.02 110.266 172.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.04 99.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 112.165 -2.289 . . . . 0.029999999999999999 112.873 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -51.58 -54.37 28.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 114.487 1.291 . . . . 0.02 114.487 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.55 -45.71 66.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 C-N-CA 116.405 -2.118 . . . . 0.02 114.428 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mmt -51.31 -37.84 49.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 115.932 -2.307 . . . . 0.02 113.31 174.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -44.49 94.63 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 112.48 -2.145 . . . . 0.02 115.158 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.0 p -58.53 -33.83 70.32 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.909 1.337 . . . . 0.02 113.504 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.29 -1.02 11.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 113.017 -1.901 . . . . 0.029999999999999999 113.907 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.49 56.71 1.97 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 114.174 -1.376 . . . . 0.02 110.85 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -148.03 171.08 16.4 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 125.034 1.079 . . . . 0.02 109.429 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -132.46 101.8 14.36 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 118.13 -1.428 . . . . 0.02 113.044 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -82.87 135.56 7.76 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 O-C-N 125.838 2.494 . . . . 0.02 110.903 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 m -74.44 166.6 23.23 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 113.809 -1.541 . . . . 0.02 109.629 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.38 -40.92 62.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.57 -1.252 . . . . 0.02 113.348 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.85 71.4 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-N 111.082 -2.781 . . . . 0.01 110.327 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.79 -23.11 63.02 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 115.103 -2.639 . . . . 0.02 115.212 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 30' ' ' LYS . 7.1 mp -72.85 -45.93 55.67 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 114.133 -3.027 . . . . 0.02 112.374 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -41.81 98.88 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.515 -2.584 . . . . 0.02 114.319 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.52 -42.44 25.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.678 -2.056 . . . . 0.01 110.472 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.523 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -59.71 -39.54 84.99 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 117.268 -1.773 . . . . 0.02 113.512 175.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 HG12 ' A' ' 63' ' ' ILE . 2.6 mt -64.33 -52.49 55.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 116.665 -2.014 . . . . 0.02 109.979 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -51.22 -35.18 35.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.676 2.102 . . . . 0.02 116.676 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG3' HG12 ' A' ' 55' ' ' VAL . 12.4 pt-20 -75.63 -24.06 56.43 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.055 -1.884 . . . . 0.01 113.75 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 51' ' ' MET . 19.6 m -119.47 15.01 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 O-C-N 125.258 1.599 . . . . 0.02 113.636 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -87.05 121.71 29.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.947 1.404 . . . . 0.02 110.741 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.49 -25.18 19.4 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 114.796 -2.762 . . . . 0.02 113.985 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -92.47 -13.52 29.81 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 113.374 -1.739 . . . . 0.02 114.791 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 10.47 84.62 Favored Glycine 0 C--N 1.347 1.194 0 C-N-CA 115.4 -3.286 . . . . 0.02 113.54 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -73.89 -32.8 63.76 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 115.297 1.591 . . . . 0.02 115.297 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 35.03 5.95 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 125.382 1.676 . . . . 0.02 114.772 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -155.14 161.98 41.1 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 127.324 2.426 . . . . 0.02 108.334 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.413 HG12 HG22 ' A' ' 52' ' ' ILE . 17.9 mm -127.7 132.18 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 117.109 -1.836 . . . . 0.02 112.667 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -109.47 176.32 5.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 124.439 2.066 . . . . 0.02 114.03 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.59 -51.83 78.21 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 117.58 2.437 . . . . 0.029999999999999999 117.58 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -44.86 -46.48 12.79 Favored 'Trans proline' 0 C--N 1.369 1.615 0 N-CA-C 116.629 1.742 . . . . 0.02 116.629 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.26 -30.87 68.02 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 123.067 1.413 . . . . 0.02 113.204 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.02 -43.25 83.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.188 -1.369 . . . . 0.02 111.24 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.34 92.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.192 -1.822 . . . . 0.02 114.814 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.2 p -59.68 -41.03 89.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 123.272 1.51 . . . . 0.17999999999999999 112.686 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.9 ttp -62.7 -43.12 99.62 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 124.409 2.052 . . . . 2.6000000000000001 111.63 174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.8 mmt -58.27 -30.87 66.92 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 112.716 -2.038 . . . . 0.02 114.598 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.336 0 CA-C-O 123.236 1.493 . . . . 0.02 114.283 174.241 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 N-CA-C 107.234 -1.395 . . . . 0.02 107.234 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -58.32 159.05 6.5 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 117.807 -1.557 . . . . 0.029999999999999999 110.183 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -49.01 -30.56 6.22 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 124.706 1.254 . . . . 0.029999999999999999 114.236 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -52.87 -64.39 0.83 Allowed 'General case' 0 C--N 1.347 0.492 0 O-C-N 125.089 1.493 . . . . 0.029999999999999999 110.157 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.47 -47.36 73.06 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 117.319 -1.752 . . . . 0.02 115.195 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.63 -47.91 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.231 1.491 . . . . 0.029999999999999999 113.373 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.98 69.01 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 112.943 -1.935 . . . . 0.02 111.547 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.02 -30.23 69.02 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 118.206 -1.397 . . . . 0.029999999999999999 113.952 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -64.71 -31.19 72.31 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.52 -1.672 . . . . 0.02 112.602 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.38 -42.5 92.61 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 117.056 -1.858 . . . . 0.02 111.508 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.44 -35.36 79.02 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 124.232 1.968 . . . . 0.029999999999999999 114.563 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.709 ' HA ' HD13 ' A' ' 18' ' ' LEU . . . -65.63 -36.27 83.21 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.284 -1.78 . . . . 0.029999999999999999 112.495 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.91 -53.97 34.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 126.269 2.231 . . . . 0.02 111.568 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -53.29 -37.74 62.48 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 123.666 1.698 . . . . 0.17000000000000001 114.15 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.709 HD13 ' HA ' ' A' ' 15' ' ' ALA . 36.1 mt -60.4 -30.94 69.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 115.4 1.63 . . . . 0.029999999999999999 115.4 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' HG22 ' A' ' 27' ' ' ILE . 55.0 m-85 -74.82 -62.29 1.59 Allowed 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 114.222 -2.991 . . . . 0.02 110.127 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.81 78.75 5.25 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 126.869 2.606 . . . . 0.029999999999999999 112.285 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HE3' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -65.53 -17.43 64.56 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.019 -1.9 . . . . 0.029999999999999999 114.133 -174.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -102.32 -21.75 14.25 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 111.416 -2.629 . . . . 0.029999999999999999 111.953 -174.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.9 27.65 60.16 Favored Glycine 0 C--N 1.347 1.192 0 C-N-CA 116.106 -2.949 . . . . 0.02 114.658 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 22' ' ' ASP . 30.9 p30 -75.98 -3.46 35.75 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.325 1.232 . . . . 0.02 114.325 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.08 25.13 75.65 Favored Glycine 0 C--N 1.337 0.604 0 O-C-N 124.568 1.167 . . . . 0.02 114.482 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.404 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 74.6 p -152.81 117.82 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 123.764 1.745 . . . . 0.02 110.985 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 19' ' ' PHE . 81.7 mt -85.85 115.66 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 111.733 -2.485 . . . . 0.02 110.425 173.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -82.63 163.57 21.33 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.901 1.334 . . . . 0.02 113.101 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 p -59.36 -43.01 92.89 Favored 'General case' 0 C--O 1.239 0.515 1 CA-C-O 128.802 4.144 . . . . 0.02 112.436 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.78 -44.0 90.56 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 109.026 -3.715 . . . . 0.029999999999999999 112.818 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.491 ' OE2' ' HE3' ' A' ' 21' ' ' LYS . 68.8 mt-10 -57.16 -43.42 82.51 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.028 -1.896 . . . . 0.02 112.612 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.528 HD13 HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -54.9 -45.82 74.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.629 1.681 . . . . 0.02 110.749 174.419 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 56.99 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 112.91 -1.95 . . . . 0.029999999999999999 113.123 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -52.22 -47.24 65.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 118.234 -1.387 . . . . 0.02 113.948 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.02 -51.86 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 117.277 -1.769 . . . . 0.02 114.576 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.4 mmt -50.78 -43.66 58.61 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 116.696 -2.002 . . . . 0.02 114.114 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -44.19 93.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 112.676 -2.056 . . . . 0.02 115.425 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.6 p -64.72 -33.37 75.81 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 123.129 1.442 . . . . 0.02 113.086 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.82 -1.64 9.91 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 112.285 -2.234 . . . . 0.029999999999999999 113.257 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.96 54.3 1.78 Allowed Glycine 0 C--N 1.341 0.839 0 C-N-CA 119.813 -1.184 . . . . 0.02 111.351 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -146.9 174.21 11.71 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.005 -1.097 . . . . 0.02 108.541 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -137.2 101.25 9.29 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 117.654 -1.619 . . . . 0.02 112.918 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -84.37 139.17 7.88 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 O-C-N 125.607 2.372 . . . . 0.02 111.101 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.62 165.94 23.73 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 113.849 -1.523 . . . . 0.02 110.52 172.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.24 -43.98 61.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.866 -1.134 . . . . 0.02 113.028 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.69 69.66 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 127.228 2.83 . . . . 0.01 110.421 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -57.9 -29.27 64.95 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 114.83 -2.748 . . . . 0.02 114.606 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -44.16 80.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 114.128 -3.029 . . . . 0.02 113.807 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.79 73.18 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 111.04 -2.8 . . . . 0.02 113.221 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -72.15 -38.24 69.24 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.254 -2.248 . . . . 0.01 111.43 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.458 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -65.6 -36.19 83.0 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.125 -1.43 . . . . 0.02 113.714 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.6 HG22 HG12 ' A' ' 63' ' ' ILE . 2.1 mt -66.31 -54.39 26.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 117.836 -1.546 . . . . 0.02 110.395 172.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.36 -28.61 69.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 113.187 -1.824 . . . . 0.02 115.383 -173.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.551 ' HG3' HG12 ' A' ' 55' ' ' VAL . 16.6 pt-20 -66.38 -28.93 69.02 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.15 -1.82 . . . . 0.01 113.726 176.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 54' ' ' GLU . 23.9 m -113.21 14.89 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 113.016 -1.902 . . . . 0.02 113.802 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -86.69 121.24 28.92 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 123.474 1.607 . . . . 0.02 111.231 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.94 -25.18 21.05 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 113.873 -3.131 . . . . 0.02 114.31 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -93.1 -15.39 26.12 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 125.335 1.647 . . . . 0.02 114.594 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.82 10.85 85.95 Favored Glycine 0 C--N 1.345 1.039 0 C-N-CA 115.813 -3.089 . . . . 0.02 113.61 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -73.73 -31.36 63.33 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.986 1.847 . . . . 0.02 115.986 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 125.674 1.858 . . . . 0.02 115.534 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.67 160.67 38.23 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 126.472 1.925 . . . . 0.02 109.012 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 52' ' ' ILE . 18.1 mm -123.48 140.53 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 115.301 -2.56 . . . . 0.02 110.439 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.547 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 25.5 p30 -112.21 -176.63 2.97 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.818 1.294 . . . . 0.02 112.465 174.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.5 -48.56 96.71 Favored Pre-proline 0 N--CA 1.478 0.967 0 N-CA-C 119.343 3.09 . . . . 0.029999999999999999 119.343 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 41.7 Cg_exo -47.84 -49.15 14.28 Favored 'Trans proline' 0 C--N 1.37 1.673 0 N-CA-C 116.5 1.692 . . . . 0.02 116.5 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.23 -34.42 72.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 125.808 1.643 . . . . 0.02 110.816 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 58.4 t80 -63.04 -41.84 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 123.456 1.598 . . . . 0.02 111.149 174.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.16 -38.57 85.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 117.293 -1.763 . . . . 0.02 113.822 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.9 p -60.17 -44.16 95.25 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 118.271 -1.372 . . . . 0.17999999999999999 112.2 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.402 ' HG3' HG11 ' A' ' 55' ' ' VAL . 7.0 ttt -56.55 -43.45 79.95 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 125.686 2.66 . . . . 2.6000000000000001 111.987 172.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -63.69 -25.07 68.04 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.138 -1.846 . . . . 0.02 114.818 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.373 0 C-N-CA 116.908 -1.917 . . . . 0.02 112.629 171.448 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.502 -0.872 0 N-CA-C 106.243 -1.762 . . . . 0.02 106.243 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.4 p -52.59 154.14 2.77 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 125.508 1.755 . . . . 0.029999999999999999 110.229 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -45.57 -28.69 1.0 Allowed 'General case' 0 C--O 1.223 -0.339 0 O-C-N 125.218 1.574 . . . . 0.029999999999999999 114.748 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.18 -64.21 0.91 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.818 -1.537 . . . . 0.029999999999999999 108.877 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.518 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.0 -46.66 78.67 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 116.328 1.973 . . . . 0.02 116.328 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mt -50.4 -48.93 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 113.885 -1.507 . . . . 0.029999999999999999 113.013 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -49.42 74.1 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 113.728 -1.578 . . . . 0.02 112.785 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.21 -30.06 66.17 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.771 1.397 . . . . 0.029999999999999999 114.771 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.0 m-85 -61.11 -41.9 97.54 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.84 -1.944 . . . . 0.02 112.423 169.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.08 -36.7 82.47 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 117.522 -1.671 . . . . 0.02 113.605 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.18 -43.34 95.94 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 116.675 -2.01 . . . . 0.029999999999999999 113.572 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.07 69.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.187 -1.37 . . . . 0.029999999999999999 113.235 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.29 -44.41 84.03 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 112.728 -2.033 . . . . 0.02 113.323 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -56.3 -37.18 69.54 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.812 1.291 . . . . 0.17000000000000001 113.295 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.6 -25.04 60.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.834 -1.53 . . . . 0.029999999999999999 113.087 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CD1' HG21 ' A' ' 35' ' ' VAL . 15.8 m-30 -74.24 -55.72 5.72 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 113.752 -1.567 . . . . 0.02 111.246 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.32 73.3 3.89 Favored 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 127.167 2.792 . . . . 0.029999999999999999 111.551 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -30.78 69.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 112.327 -2.215 . . . . 0.029999999999999999 113.62 -171.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -84.53 -20.79 31.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 111.754 -2.476 . . . . 0.029999999999999999 112.541 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.83 25.3 75.22 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 117.32 -2.372 . . . . 0.02 113.261 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.42 -3.9 36.45 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 114.764 1.394 . . . . 0.02 114.764 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 21.28 73.69 Favored Glycine 0 C--O 1.227 -0.305 0 CA-C-N 114.373 -1.285 . . . . 0.02 114.923 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -156.27 120.29 4.43 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 124.063 1.887 . . . . 0.02 114.121 -174.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.89 116.89 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 115.083 -2.647 . . . . 0.02 111.239 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 p -87.97 165.41 15.23 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 122.746 1.26 . . . . 0.02 110.727 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -60.47 -42.12 95.59 Favored 'General case' 0 CA--C 1.543 0.692 1 CA-C-O 130.245 4.831 . . . . 0.02 110.224 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.16 -44.56 94.92 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 109.284 -3.598 . . . . 0.029999999999999999 113.14 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.3 mt-10 -56.19 -43.97 78.96 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 125.251 1.594 . . . . 0.02 111.828 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.94 -39.4 59.15 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.454 1.597 . . . . 0.02 112.575 173.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.31 -48.57 74.27 Favored Glycine 0 C--O 1.219 -0.788 0 C-N-CA 116.807 -2.616 . . . . 0.029999999999999999 112.135 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -55.81 -43.73 77.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 117.933 -1.507 . . . . 0.02 114.779 172.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 19' ' ' PHE . 71.9 t -52.87 -68.27 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 125.36 1.662 . . . . 0.02 112.614 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.2 mmt -55.94 -39.62 71.97 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 124.126 1.917 . . . . 0.02 112.716 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.32 -36.48 78.03 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.468 -2.151 . . . . 0.02 114.977 174.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -67.65 -35.13 78.31 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.937 1.351 . . . . 0.02 111.726 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.72 -0.96 14.62 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 111.926 -2.397 . . . . 0.029999999999999999 113.367 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.35 55.88 1.52 Allowed Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.016 -1.447 . . . . 0.02 112.6 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -146.44 176.46 9.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 118.945 -1.102 . . . . 0.02 109.017 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.73 101.37 9.7 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 118.089 -1.445 . . . . 0.02 112.174 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -85.76 137.02 5.46 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 O-C-N 125.691 2.416 . . . . 0.02 112.135 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.552 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 10.7 m -74.66 171.39 13.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.691 -1.595 . . . . 0.02 109.8 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.0 -40.68 67.18 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 118.405 -1.318 . . . . 0.02 113.592 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.25 71.3 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 127.099 2.749 . . . . 0.01 109.261 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.552 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.46 -23.94 67.61 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 114.55 -2.86 . . . . 0.02 114.344 -175.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.38 -48.81 38.69 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 113.665 -3.214 . . . . 0.02 112.8 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -47.68 85.01 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 110.853 -2.885 . . . . 0.02 112.941 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.32 -42.48 62.28 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 112.312 -2.222 . . . . 0.01 111.539 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.65 -32.12 73.65 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 116.703 -1.999 . . . . 0.02 114.313 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.595 HG22 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.09 -56.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.441 -1.703 . . . . 0.02 111.101 169.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -59.06 -31.76 69.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 123.768 1.746 . . . . 0.02 115.163 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.691 ' HG3' HG12 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.92 -24.63 66.87 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 113.094 -1.866 . . . . 0.01 114.359 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.691 HG12 ' HG3' ' A' ' 54' ' ' GLU . 29.8 m -118.77 12.91 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 125.137 1.523 . . . . 0.02 113.931 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.86 117.99 24.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 122.796 1.284 . . . . 0.02 110.332 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.54 -24.35 20.64 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 114.429 -2.908 . . . . 0.02 113.516 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -92.99 -15.04 26.65 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 113.025 -1.898 . . . . 0.02 114.904 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.68 13.84 82.64 Favored Glycine 0 C--N 1.348 1.233 0 C-N-CA 116.303 -2.856 . . . . 0.02 113.575 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -76.83 -33.18 57.96 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.918 1.451 . . . . 0.02 114.918 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.45 28.68 7.87 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 119.801 -1.19 . . . . 0.02 115.808 -175.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -153.95 159.67 41.78 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 126.428 1.899 . . . . 0.02 108.402 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.595 HG12 HG22 ' A' ' 52' ' ' ILE . 16.9 mm -124.68 143.21 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 115.42 -2.512 . . . . 0.02 110.93 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.609 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 28.3 p30 -112.25 -173.27 2.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 124.567 2.127 . . . . 0.02 113.54 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.257 39.1 t80 -59.36 -51.25 82.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 118.578 2.806 . . . . 0.029999999999999999 118.578 172.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 51.3 Cg_exo -47.17 -51.33 9.59 Favored 'Trans proline' 0 C--N 1.368 1.596 0 N-CA-C 116.49 1.688 . . . . 0.02 116.49 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.34 -36.45 84.06 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 123.289 1.519 . . . . 0.02 111.316 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.82 -44.55 96.63 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 117.058 -1.857 . . . . 0.02 112.307 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.57 -40.66 95.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 118.691 -1.204 . . . . 0.02 112.996 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -61.34 -38.66 87.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 123.582 1.658 . . . . 0.17999999999999999 112.774 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -42.48 95.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 112.98 -1.918 . . . . 2.6000000000000001 112.104 172.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.73 -30.3 65.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 113.637 -1.619 . . . . 0.02 115.284 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 117.377 -1.729 . . . . 0.02 113.169 171.792 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.956 0 N-CA-C 105.053 -2.203 . . . . 20.0 105.053 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -86.38 -68.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 126.953 2.658 . . . . 2.9900000000000002 109.676 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.498 ' O ' HD21 ' A' ' 4' ' ' LEU . 93.2 mm-40 -74.4 -60.62 2.19 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.847 -1.978 . . . . 0.029999999999999999 110.014 171.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD21 ' O ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER -153.93 -174.58 5.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 112.901 -1.954 . . . . 0.02 107.172 179.306 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -59.33 158.84 8.65 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 118.055 -1.458 . . . . 0.029999999999999999 110.36 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -29.48 2.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 125.661 1.851 . . . . 0.029999999999999999 114.629 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.83 -64.88 0.69 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 125.206 1.566 . . . . 0.029999999999999999 111.007 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -57.79 -44.13 86.06 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 116.039 -2.264 . . . . 0.02 115.16 -175.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -53.26 -48.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 113.578 -1.646 . . . . 0.029999999999999999 113.822 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -49.67 74.05 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 113.844 -1.525 . . . . 0.02 111.019 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.82 -36.81 70.38 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.032 -1.467 . . . . 0.029999999999999999 113.82 173.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.58 -33.86 74.6 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 117.681 -1.608 . . . . 0.02 113.853 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -64.14 -43.38 95.4 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 113.637 -1.62 . . . . 0.02 111.455 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.99 -38.9 90.32 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 117.403 -1.719 . . . . 0.029999999999999999 113.195 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.24 77.46 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.933 -1.031 . . . . 0.029999999999999999 112.105 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.74 -46.91 87.69 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 126.613 2.445 . . . . 0.02 112.057 174.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 t -56.24 -45.61 79.9 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 123.635 1.683 . . . . 0.17000000000000001 113.219 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 123.91 1.814 . . . . 0.029999999999999999 114.994 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 18.5 m-30 -78.8 -57.07 3.94 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 112.259 -2.246 . . . . 0.02 112.215 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.69 73.31 5.84 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 128.189 3.43 . . . . 0.029999999999999999 111.679 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HZ1' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.25 -24.1 67.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 109.636 -3.438 . . . . 0.029999999999999999 115.312 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.88 -22.22 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 112.378 -2.192 . . . . 0.029999999999999999 112.284 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 31.05 72.66 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 112.922 -1.945 . . . . 0.02 114.153 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -77.84 -2.88 38.78 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 115.134 1.531 . . . . 0.02 115.134 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.54 18.15 79.31 Favored Glycine 0 CA--C 1.524 0.649 0 O-C-N 124.75 1.281 . . . . 0.02 115.666 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -151.0 116.07 5.29 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.246 1.974 . . . . 0.02 111.306 -172.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.0 mt -82.08 117.95 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 CA-C-N 112.736 -2.029 . . . . 0.02 110.27 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.422 ' HG1' ' HG3' ' A' ' 31' ' ' GLU . 2.4 p -86.63 170.13 12.1 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 115.261 -2.576 . . . . 0.02 114.183 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -63.02 -41.9 99.65 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-O 129.615 4.531 . . . . 0.02 112.952 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 7.8 tptm -61.78 -42.66 99.28 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.633 -3.439 . . . . 0.029999999999999999 111.579 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.2 mt-10 -57.34 -38.55 74.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.201 -2.727 . . . . 0.02 112.492 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 tm? -52.8 -38.27 60.96 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 125.746 1.904 . . . . 0.02 111.292 175.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.94 -53.46 36.67 Favored Glycine 0 C--N 1.343 0.951 0 C-N-CA 118.134 -1.984 . . . . 0.029999999999999999 112.079 173.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.7 m -54.14 -45.79 72.08 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.007 -1.596 . . . . 0.02 114.127 173.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.8 t -51.69 -69.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 127.241 2.217 . . . . 0.02 113.076 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 1.0 ' SD ' 'CL ' ' A' ' 149' ' ' HLT . 29.5 mmt -59.12 -38.29 79.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 125.024 2.345 . . . . 0.02 112.188 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -30.22 71.39 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 112.655 -2.066 . . . . 0.02 115.191 175.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.7 p -75.45 -29.25 59.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 117.642 -1.623 . . . . 0.02 111.64 -174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.62 -2.2 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 113.16 -1.836 . . . . 0.029999999999999999 112.553 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.96 66.16 1.32 Allowed Glycine 0 C--O 1.218 -0.887 0 CA-C-N 113.246 -1.797 . . . . 0.02 110.674 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -152.72 170.8 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.587 -1.264 . . . . 0.02 107.587 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -132.83 101.35 14.07 Favored Pre-proline 0 CA--C 1.504 -0.796 0 C-N-CA 117.977 -1.489 . . . . 0.02 111.586 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -85.3 150.97 10.58 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 O-C-N 127.978 3.62 . . . . 0.02 112.132 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' HD12 ' A' ' 48' ' ' LEU . 98.0 m -86.0 164.55 17.31 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 113.541 -1.663 . . . . 0.02 109.627 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.38 -40.7 65.22 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 118.077 -1.449 . . . . 0.02 112.535 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.37 84.55 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 111.369 -2.651 . . . . 0.01 110.604 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.4 -25.1 61.72 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 114.796 -2.762 . . . . 0.02 114.353 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -71.08 -44.99 64.6 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 115.033 -2.667 . . . . 0.02 113.485 178.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -65.26 -40.23 93.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 111.438 -2.619 . . . . 0.02 114.575 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -80.29 -46.74 15.66 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 111.577 -2.556 . . . . 0.01 111.049 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' 'CL ' ' A' ' 149' ' ' HLT . 23.1 mmt -55.34 -39.49 70.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.142 -1.423 . . . . 0.02 113.756 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.445 HG22 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -63.61 -58.69 6.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 C-N-CA 117.864 -1.534 . . . . 0.02 110.999 174.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -58.16 -33.05 68.79 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 123.994 1.854 . . . . 0.02 115.665 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.77 ' HG3' HG12 ' A' ' 55' ' ' VAL . 15.9 pt-20 -64.9 -25.88 68.08 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 113.564 -1.653 . . . . 0.01 114.328 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.77 HG12 ' HG3' ' A' ' 54' ' ' GLU . 33.5 m -118.1 16.24 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 125.287 1.617 . . . . 0.02 114.079 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.44 116.35 25.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 123.273 1.511 . . . . 0.02 110.731 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.19 -26.06 25.32 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 114.465 -2.894 . . . . 0.02 114.002 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -92.02 -14.62 29.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.374 1.671 . . . . 0.02 114.776 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.35 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 116.187 -2.911 . . . . 0.02 113.48 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -75.05 -32.61 61.59 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 115.554 1.687 . . . . 0.02 115.554 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.63 31.46 6.06 Favored Glycine 0 C--N 1.339 0.723 0 O-C-N 124.707 1.254 . . . . 0.02 115.777 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -152.84 161.03 43.07 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 126.144 1.732 . . . . 0.02 108.503 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 HG12 HG22 ' A' ' 52' ' ' ILE . 30.6 mm -125.05 136.27 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 115.09 -2.644 . . . . 0.02 111.345 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.566 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 18.3 p30 -110.89 179.35 4.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 123.914 1.816 . . . . 0.02 112.846 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.22 -50.97 84.45 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 117.813 2.523 . . . . 0.029999999999999999 117.813 173.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 31.2 Cg_exo -47.89 -44.9 26.13 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 116.52 1.7 . . . . 0.02 116.52 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -69.28 -40.9 77.46 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.082 0.953 . . . . 0.02 109.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CE1' ' HE2' ' A' ' 19' ' ' PHE . 90.1 t80 -56.64 -42.0 78.15 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 118.859 -1.136 . . . . 0.02 111.701 174.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -40.8 96.91 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.399 1.259 . . . . 0.02 114.399 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 117.125 -1.83 . . . . 0.17999999999999999 113.377 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 1.245 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 0.0 OUTLIER -58.24 -42.07 85.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 125.048 2.356 . . . . 2.6000000000000001 111.31 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mmm -59.97 -35.6 75.35 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 113.447 -1.706 . . . . 0.02 114.869 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.79 74.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 112.916 -1.947 . . . . 0.02 113.134 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' HE3' ' A' ' 76' ' ' MET . 25.5 mmt180 -67.43 -29.56 69.07 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 113.495 -1.684 . . . . 0.02 114.895 172.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -69.91 84.74 0.5 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 115.634 1.716 . . . . 0.02 115.634 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.438 ' HE3' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 CA-C-N 114.66 -1.155 . . . . 20.0 111.616 -174.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' HLT . . . . . 1.245 'BR ' ' CE ' ' A' ' 71' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.985 0 N-CA-C 106.515 -1.661 . . . . 20.0 106.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -82.62 -69.24 0.64 Allowed 'General case' 0 CA--C 1.498 -1.034 0 O-C-N 128.122 3.389 . . . . 2.9900000000000002 110.958 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' HD21 ' A' ' 4' ' ' LEU . 80.3 mt-30 -76.42 -65.65 0.9 Allowed 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.365 -1.743 . . . . 0.029999999999999999 110.126 170.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -157.12 177.44 11.48 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.209 -1.775 . . . . 0.02 106.209 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -52.52 154.09 2.74 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 125.483 1.739 . . . . 0.029999999999999999 110.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -45.44 -28.84 0.97 Allowed 'General case' 0 C--O 1.222 -0.389 0 O-C-N 125.208 1.568 . . . . 0.029999999999999999 114.812 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.01 -64.25 0.89 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.925 -1.488 . . . . 0.029999999999999999 108.92 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.52 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.09 -46.57 79.01 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 116.323 1.971 . . . . 0.02 116.323 -179.55 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.3 mt -50.41 -48.98 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 113.973 -1.467 . . . . 0.029999999999999999 112.999 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.43 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 113.741 -1.572 . . . . 0.02 112.826 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.29 -29.9 66.21 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.825 1.417 . . . . 0.029999999999999999 114.825 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.1 m-85 -61.19 -41.95 97.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.904 -1.918 . . . . 0.02 112.403 169.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.06 -36.7 82.41 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 117.54 -1.664 . . . . 0.02 113.642 171.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.1 -43.49 95.54 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 116.668 -2.013 . . . . 0.029999999999999999 113.558 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.13 69.61 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.199 -1.364 . . . . 0.029999999999999999 113.279 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.19 -44.46 83.62 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.778 -2.01 . . . . 0.02 113.294 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 t -56.3 -37.06 69.37 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 122.979 1.371 . . . . 0.17000000000000001 113.342 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.74 -24.99 59.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 113.805 -1.543 . . . . 0.029999999999999999 113.098 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CD1' HG21 ' A' ' 35' ' ' VAL . 15.9 m-30 -74.32 -55.72 5.69 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-N 113.75 -1.568 . . . . 0.02 111.241 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.34 73.37 3.91 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 127.224 2.827 . . . . 0.029999999999999999 111.608 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -30.66 69.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 112.389 -2.187 . . . . 0.029999999999999999 113.666 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -84.59 -20.89 30.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 111.772 -2.467 . . . . 0.029999999999999999 112.558 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.93 25.36 74.99 Favored Glycine 0 C--N 1.348 1.237 0 C-N-CA 117.35 -2.357 . . . . 0.02 113.214 -174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.33 -3.87 35.97 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 114.775 1.398 . . . . 0.02 114.775 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.63 74.58 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 114.395 -1.275 . . . . 0.02 114.695 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -153.94 130.4 10.59 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 123.34 1.543 . . . . 0.02 110.833 -176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.0 mt -82.25 116.14 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 116.086 -2.246 . . . . 0.02 110.285 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -85.94 165.38 16.79 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 116.437 -2.105 . . . . 0.02 112.929 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 10.7 p -60.01 -42.66 94.77 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-O 130.594 4.997 . . . . 0.02 110.47 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.02 -44.3 94.68 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 109.426 -3.533 . . . . 0.029999999999999999 113.12 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.5 mt-10 -56.24 -44.05 79.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 125.367 1.667 . . . . 0.02 111.824 174.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.89 -39.39 58.96 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 123.52 1.629 . . . . 0.02 112.56 173.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.27 -48.61 73.74 Favored Glycine 0 C--O 1.219 -0.794 0 C-N-CA 116.829 -2.605 . . . . 0.029999999999999999 112.216 174.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 m -55.84 -43.7 77.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.055 -1.458 . . . . 0.02 114.792 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.674 HG21 ' CD1' ' A' ' 19' ' ' PHE . 72.7 t -52.8 -68.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 125.465 1.728 . . . . 0.02 112.628 175.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.967 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 33.2 mmt -55.99 -39.63 72.15 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 124.196 1.95 . . . . 0.02 112.763 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.27 -36.49 77.95 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 112.557 -2.111 . . . . 0.02 114.978 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -67.67 -35.15 78.32 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 123.052 1.406 . . . . 0.02 111.703 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.68 -1.0 14.62 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 111.967 -2.379 . . . . 0.029999999999999999 113.368 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.36 55.79 1.53 Allowed Glycine 0 C--N 1.344 0.992 0 CA-C-N 113.957 -1.474 . . . . 0.02 112.63 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -146.28 176.57 9.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 119.02 -1.072 . . . . 0.02 109.102 -176.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -136.79 101.3 9.66 Favored Pre-proline 0 N--CA 1.471 0.596 0 C-N-CA 118.087 -1.445 . . . . 0.02 112.135 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 137.01 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 O-C-N 126.052 2.606 . . . . 0.02 112.065 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.555 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 m -74.82 171.49 13.89 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 113.599 -1.637 . . . . 0.02 109.696 174.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.1 -40.64 67.46 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 118.523 -1.271 . . . . 0.02 113.494 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.93 -46.16 71.45 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 127.228 2.83 . . . . 0.01 109.212 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.47 -23.9 67.6 Favored 'General case' 0 C--O 1.205 -1.264 0 C-N-CA 114.601 -2.84 . . . . 0.02 114.454 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.42 -48.81 38.26 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 113.93 -3.108 . . . . 0.02 112.679 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -47.91 83.94 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 110.834 -2.894 . . . . 0.02 112.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.16 -42.51 62.73 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.278 -2.237 . . . . 0.01 111.582 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.47 ' HA ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.76 -31.95 73.42 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.684 -2.006 . . . . 0.02 114.267 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.594 HG22 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.14 -56.52 14.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.391 -1.724 . . . . 0.02 111.101 169.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -58.99 -31.83 69.13 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 123.792 1.758 . . . . 0.02 115.185 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HG3' HG12 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.91 -24.65 66.88 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.201 -1.818 . . . . 0.01 114.345 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.692 HG12 ' HG3' ' A' ' 54' ' ' GLU . 30.4 m -118.77 12.97 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 O-C-N 125.142 1.526 . . . . 0.02 113.923 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -85.07 118.16 24.47 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 123.003 1.382 . . . . 0.02 110.285 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.66 -24.38 20.5 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 114.421 -2.911 . . . . 0.02 113.532 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -92.98 -15.01 26.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 112.972 -1.922 . . . . 0.02 114.894 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 14.24 82.11 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 116.281 -2.866 . . . . 0.02 113.65 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -76.9 -33.64 57.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 115.017 1.488 . . . . 0.02 115.017 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.81 28.59 7.75 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 115.845 1.098 . . . . 0.02 115.845 -175.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -153.91 159.66 41.83 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 126.431 1.901 . . . . 0.02 108.305 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.594 HG12 HG22 ' A' ' 52' ' ' ILE . 17.0 mm -124.54 143.37 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 115.354 -2.539 . . . . 0.02 110.891 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.609 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 27.7 p-10 -112.33 -173.33 2.22 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 124.62 2.152 . . . . 0.02 113.569 173.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.258 39.3 t80 -59.36 -51.27 82.58 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 118.586 2.81 . . . . 0.029999999999999999 118.586 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 52.3 Cg_exo -47.07 -51.48 9.3 Favored 'Trans proline' 0 C--N 1.366 1.48 0 N-CA-C 116.503 1.693 . . . . 0.02 116.503 174.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.24 -36.49 84.29 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.292 1.52 . . . . 0.02 111.321 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.79 -44.63 96.48 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 117.143 -1.823 . . . . 0.02 112.278 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.55 -40.65 95.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.857 -1.152 . . . . 0.02 112.989 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -61.39 -38.73 88.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 123.599 1.666 . . . . 0.17999999999999999 112.76 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 1.089 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 0.7 OUTLIER -60.17 -42.53 95.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 113.006 -1.906 . . . . 2.6000000000000001 112.169 172.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.494 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.71 -30.35 65.45 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 115.3 1.592 . . . . 0.02 115.3 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.44 81.5 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 117.495 -1.682 . . . . 0.02 113.187 171.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -22.34 64.95 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.293 -1.776 . . . . 0.02 115.711 174.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.636 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 1.6 tmpt? -64.43 94.35 0.11 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.927 -1.033 . . . . 0.02 112.711 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 C-N-CA 125.188 1.395 . . . . 20.0 110.795 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' HLT . . . . . 1.089 'BR ' ' CE ' ' A' ' 71' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' LEU . . . . . . . . 0 CA--C 1.503 -0.837 0 N-CA-C 105.494 -2.039 . . . . 20.0 105.494 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -68.71 0.69 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 126.391 2.307 . . . . 2.9900000000000002 109.647 176.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.48 ' O ' HD21 ' A' ' 4' ' ' LEU . 97.8 mm-40 -75.25 -59.26 2.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 126.33 2.269 . . . . 0.029999999999999999 109.764 170.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -148.81 -172.95 4.23 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 126.117 2.135 . . . . 0.02 108.205 178.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 p -60.98 157.85 14.61 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 117.157 -1.817 . . . . 0.029999999999999999 110.838 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.29 -30.4 3.07 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 115.328 1.603 . . . . 0.029999999999999999 115.328 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.03 -61.98 1.92 Allowed 'General case' 0 C--N 1.344 0.346 0 O-C-N 125.523 1.764 . . . . 0.029999999999999999 110.915 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -60.46 -46.44 90.07 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 116.642 -2.023 . . . . 0.02 114.714 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -50.53 -47.55 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 114.427 -1.26 . . . . 0.029999999999999999 113.831 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -55.35 -51.03 68.11 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 113.874 -1.512 . . . . 0.02 112.006 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.43 -22.98 67.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 115.12 1.526 . . . . 0.029999999999999999 115.12 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -62.11 -36.56 82.12 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 116.903 -1.919 . . . . 0.02 111.454 170.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -59.43 -43.84 93.03 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 118.593 -1.243 . . . . 0.02 112.6 170.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.41 -36.65 80.92 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 124.137 1.923 . . . . 0.029999999999999999 113.55 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.27 89.94 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.892 -1.504 . . . . 0.029999999999999999 113.037 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -54.97 -47.28 74.77 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.381 -2.191 . . . . 0.02 111.013 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -54.55 -40.08 68.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 113.454 -1.703 . . . . 0.17000000000000001 113.605 174.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.74 -39.7 71.5 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 117.266 -1.774 . . . . 0.029999999999999999 114.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' HB2' HG12 ' A' ' 27' ' ' ILE . 38.5 m-85 -72.63 -63.54 1.14 Allowed 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 116.532 -2.067 . . . . 0.02 109.924 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -81.43 75.72 8.38 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 125.877 1.985 . . . . 0.029999999999999999 113.193 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -21.88 65.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 117.136 -1.826 . . . . 0.029999999999999999 114.538 -175.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.86 -21.14 34.43 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 112.12 -2.309 . . . . 0.029999999999999999 112.907 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.35 27.5 71.44 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 117.199 -2.429 . . . . 0.02 114.054 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -75.48 -6.47 50.32 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.055 1.132 . . . . 0.02 114.055 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.09 20.53 77.42 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 125.105 1.503 . . . . 0.02 114.481 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -150.06 116.4 5.74 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 123.98 1.847 . . . . 0.02 111.166 -174.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.403 HG12 ' HB2' ' A' ' 19' ' ' PHE . 96.4 mt -83.21 114.72 24.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 113.145 -1.843 . . . . 0.02 109.66 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -82.44 165.87 19.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 124.302 2.001 . . . . 0.02 113.993 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.9 p -61.34 -43.81 98.24 Favored 'General case' 0 N--CA 1.467 0.412 1 CA-C-O 128.618 4.056 . . . . 0.02 111.695 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.47 -39.48 70.43 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 109.775 -3.375 . . . . 0.029999999999999999 114.098 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.13 -41.06 90.99 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 111.84 -2.436 . . . . 0.02 113.421 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD22 'BR ' ' A' ' 149' ' ' HLT . 3.3 tm? -47.94 -49.87 28.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 124.578 2.132 . . . . 0.02 110.266 172.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.04 99.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 112.165 -2.289 . . . . 0.029999999999999999 112.873 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -51.58 -54.37 28.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 114.487 1.291 . . . . 0.02 114.487 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.55 -45.71 66.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 C-N-CA 116.405 -2.118 . . . . 0.02 114.428 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.729 ' SD ' 'BR ' ' A' ' 149' ' ' HLT . 36.1 mmt -51.31 -37.84 49.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 115.932 -2.307 . . . . 0.02 113.31 174.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -44.49 94.63 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 112.48 -2.145 . . . . 0.02 115.158 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.0 p -58.53 -33.83 70.32 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.909 1.337 . . . . 0.02 113.504 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.29 -1.02 11.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 113.017 -1.901 . . . . 0.029999999999999999 113.907 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.49 56.71 1.97 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 114.174 -1.376 . . . . 0.02 110.85 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -148.03 171.08 16.4 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 125.034 1.079 . . . . 0.02 109.429 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -132.46 101.8 14.36 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 118.13 -1.428 . . . . 0.02 113.044 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -82.87 135.56 7.76 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 O-C-N 125.838 2.494 . . . . 0.02 110.903 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 m -74.44 166.6 23.23 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 113.809 -1.541 . . . . 0.02 109.629 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.38 -40.92 62.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.57 -1.252 . . . . 0.02 113.348 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.85 71.4 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-N 111.082 -2.781 . . . . 0.01 110.327 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.79 -23.11 63.02 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 115.103 -2.639 . . . . 0.02 115.212 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 30' ' ' LYS . 7.1 mp -72.85 -45.93 55.67 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 114.133 -3.027 . . . . 0.02 112.374 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -41.81 98.88 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.515 -2.584 . . . . 0.02 114.319 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.52 -42.44 25.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.678 -2.056 . . . . 0.01 110.472 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.595 ' HB3' 'CL ' ' A' ' 149' ' ' HLT . 0.0 OUTLIER -59.71 -39.54 84.99 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 117.268 -1.773 . . . . 0.02 113.512 175.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG22 HG12 ' A' ' 63' ' ' ILE . 2.6 mt -64.33 -52.49 55.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 116.665 -2.014 . . . . 0.02 109.979 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -51.22 -35.18 35.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.676 2.102 . . . . 0.02 116.676 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG3' HG12 ' A' ' 55' ' ' VAL . 12.4 pt-20 -75.63 -24.06 56.43 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.055 -1.884 . . . . 0.01 113.75 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 51' ' ' MET . 19.6 m -119.47 15.01 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 O-C-N 125.258 1.599 . . . . 0.02 113.636 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -87.05 121.71 29.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.947 1.404 . . . . 0.02 110.741 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.49 -25.18 19.4 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 114.796 -2.762 . . . . 0.02 113.985 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -92.47 -13.52 29.81 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 113.374 -1.739 . . . . 0.02 114.791 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 10.47 84.62 Favored Glycine 0 C--N 1.347 1.194 0 C-N-CA 115.4 -3.286 . . . . 0.02 113.54 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -73.89 -32.8 63.76 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 115.297 1.591 . . . . 0.02 115.297 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 35.03 5.95 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 125.382 1.676 . . . . 0.02 114.772 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -155.14 161.98 41.1 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 127.324 2.426 . . . . 0.02 108.334 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.413 HG12 HG22 ' A' ' 52' ' ' ILE . 17.9 mm -127.7 132.18 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 117.109 -1.836 . . . . 0.02 112.667 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -109.47 176.32 5.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 124.439 2.066 . . . . 0.02 114.03 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.59 -51.83 78.21 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 117.58 2.437 . . . . 0.029999999999999999 117.58 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -44.86 -46.48 12.79 Favored 'Trans proline' 0 C--N 1.369 1.615 0 N-CA-C 116.629 1.742 . . . . 0.02 116.629 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.26 -30.87 68.02 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 123.067 1.413 . . . . 0.02 113.204 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.02 -43.25 83.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.188 -1.369 . . . . 0.02 111.24 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.34 92.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.192 -1.822 . . . . 0.02 114.814 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.2 p -59.68 -41.03 89.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 123.272 1.51 . . . . 0.17999999999999999 112.686 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' HC1' ' A' ' 149' ' ' HLT . 31.9 ttp -62.7 -43.12 99.62 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 124.409 2.052 . . . . 2.6000000000000001 111.63 174.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.524 ' SD ' ' HE2' ' A' ' 76' ' ' MET . 14.8 mmt -58.27 -30.87 66.92 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 112.716 -2.038 . . . . 0.02 114.598 174.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.22 71.29 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 123.236 1.493 . . . . 0.02 114.283 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -70.92 -47.54 58.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.788 -2.005 . . . . 0.02 114.225 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.12 151.31 47.2 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.831 -1.986 . . . . 0.02 108.451 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.524 ' HE2' ' SD ' ' A' ' 72' ' ' MET 0.346 0.0 OUTLIER . . . . . 0 C--N 1.352 0.699 0 N-CA-C 116.113 1.894 . . . . 20.0 116.113 -175.468 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' HLT . . . . . 0.729 'BR ' ' SD ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 4' ' ' LEU . . . . . . . . 0 CA--C 1.505 -0.755 0 N-CA-C 106.087 -1.82 . . . . 20.0 106.087 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.15 -67.25 0.85 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 111.103 -2.771 . . . . 2.9900000000000002 109.313 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.498 ' O ' HD21 ' A' ' 4' ' ' LEU . 22.0 mp0 -77.34 -56.42 4.57 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 112.845 -1.979 . . . . 0.029999999999999999 109.049 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD21 ' O ' ' A' ' 3' ' ' GLN . 0.4 OUTLIER -151.04 -173.8 4.6 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 126.179 2.174 . . . . 0.02 107.234 177.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -58.32 159.05 6.5 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 117.807 -1.557 . . . . 0.029999999999999999 110.183 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -49.01 -30.56 6.22 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 124.706 1.254 . . . . 0.029999999999999999 114.236 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -52.87 -64.39 0.83 Allowed 'General case' 0 C--N 1.347 0.492 0 O-C-N 125.089 1.493 . . . . 0.029999999999999999 110.157 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.47 -47.36 73.06 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 117.319 -1.752 . . . . 0.02 115.195 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.63 -47.91 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.231 1.491 . . . . 0.029999999999999999 113.373 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.98 69.01 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 112.943 -1.935 . . . . 0.02 111.547 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.02 -30.23 69.02 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 118.206 -1.397 . . . . 0.029999999999999999 113.952 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -64.71 -31.19 72.31 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.52 -1.672 . . . . 0.02 112.602 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.38 -42.5 92.61 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 117.056 -1.858 . . . . 0.02 111.508 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.44 -35.36 79.02 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 124.232 1.968 . . . . 0.029999999999999999 114.563 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.709 ' HA ' HD13 ' A' ' 18' ' ' LEU . . . -65.63 -36.27 83.21 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.284 -1.78 . . . . 0.029999999999999999 112.495 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.91 -53.97 34.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 126.269 2.231 . . . . 0.02 111.568 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -53.29 -37.74 62.48 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 123.666 1.698 . . . . 0.17000000000000001 114.15 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.709 HD13 ' HA ' ' A' ' 15' ' ' ALA . 36.1 mt -60.4 -30.94 69.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 115.4 1.63 . . . . 0.029999999999999999 115.4 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' HG22 ' A' ' 27' ' ' ILE . 55.0 m-85 -74.82 -62.29 1.59 Allowed 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 114.222 -2.991 . . . . 0.02 110.127 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.81 78.75 5.25 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 126.869 2.606 . . . . 0.029999999999999999 112.285 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HE3' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -65.53 -17.43 64.56 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.019 -1.9 . . . . 0.029999999999999999 114.133 -174.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -102.32 -21.75 14.25 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 111.416 -2.629 . . . . 0.029999999999999999 111.953 -174.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.9 27.65 60.16 Favored Glycine 0 C--N 1.347 1.192 0 C-N-CA 116.106 -2.949 . . . . 0.02 114.658 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 22' ' ' ASP . 30.9 p30 -75.98 -3.46 35.75 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.325 1.232 . . . . 0.02 114.325 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.08 25.13 75.65 Favored Glycine 0 C--N 1.337 0.604 0 O-C-N 124.568 1.167 . . . . 0.02 114.482 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.404 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 74.6 p -152.81 117.82 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 123.764 1.745 . . . . 0.02 110.985 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 19' ' ' PHE . 81.7 mt -85.85 115.66 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 111.733 -2.485 . . . . 0.02 110.425 173.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -82.63 163.57 21.33 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.901 1.334 . . . . 0.02 113.101 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 p -59.36 -43.01 92.89 Favored 'General case' 0 C--O 1.239 0.515 1 CA-C-O 128.802 4.144 . . . . 0.02 112.436 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.78 -44.0 90.56 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 109.026 -3.715 . . . . 0.029999999999999999 112.818 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.491 ' OE2' ' HE3' ' A' ' 21' ' ' LYS . 68.8 mt-10 -57.16 -43.42 82.51 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.028 -1.896 . . . . 0.02 112.612 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.528 HD13 HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -54.9 -45.82 74.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.629 1.681 . . . . 0.02 110.749 174.419 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 56.99 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 112.91 -1.95 . . . . 0.029999999999999999 113.123 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -52.22 -47.24 65.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 118.234 -1.387 . . . . 0.02 113.948 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.02 -51.86 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 117.277 -1.769 . . . . 0.02 114.576 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.886 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 31.4 mmt -50.78 -43.66 58.61 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 116.696 -2.002 . . . . 0.02 114.114 174.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -44.19 93.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 112.676 -2.056 . . . . 0.02 115.425 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.6 p -64.72 -33.37 75.81 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 123.129 1.442 . . . . 0.02 113.086 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.82 -1.64 9.91 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 112.285 -2.234 . . . . 0.029999999999999999 113.257 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.96 54.3 1.78 Allowed Glycine 0 C--N 1.341 0.839 0 C-N-CA 119.813 -1.184 . . . . 0.02 111.351 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -146.9 174.21 11.71 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.005 -1.097 . . . . 0.02 108.541 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -137.2 101.25 9.29 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 117.654 -1.619 . . . . 0.02 112.918 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -84.37 139.17 7.88 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 O-C-N 125.607 2.372 . . . . 0.02 111.101 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.62 165.94 23.73 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 113.849 -1.523 . . . . 0.02 110.52 172.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.24 -43.98 61.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.866 -1.134 . . . . 0.02 113.028 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.69 69.66 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 127.228 2.83 . . . . 0.01 110.421 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -57.9 -29.27 64.95 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 114.83 -2.748 . . . . 0.02 114.606 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -44.16 80.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 114.128 -3.029 . . . . 0.02 113.807 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.79 73.18 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 111.04 -2.8 . . . . 0.02 113.221 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -72.15 -38.24 69.24 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.254 -2.248 . . . . 0.01 111.43 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.458 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -65.6 -36.19 83.0 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.125 -1.43 . . . . 0.02 113.714 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.6 HG22 HG12 ' A' ' 63' ' ' ILE . 2.1 mt -66.31 -54.39 26.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 117.836 -1.546 . . . . 0.02 110.395 172.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.36 -28.61 69.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 113.187 -1.824 . . . . 0.02 115.383 -173.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.551 ' HG3' HG12 ' A' ' 55' ' ' VAL . 16.6 pt-20 -66.38 -28.93 69.02 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.15 -1.82 . . . . 0.01 113.726 176.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 54' ' ' GLU . 23.9 m -113.21 14.89 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 113.016 -1.902 . . . . 0.02 113.802 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -86.69 121.24 28.92 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 123.474 1.607 . . . . 0.02 111.231 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.94 -25.18 21.05 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 113.873 -3.131 . . . . 0.02 114.31 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -93.1 -15.39 26.12 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 125.335 1.647 . . . . 0.02 114.594 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.82 10.85 85.95 Favored Glycine 0 C--N 1.345 1.039 0 C-N-CA 115.813 -3.089 . . . . 0.02 113.61 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -73.73 -31.36 63.33 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.986 1.847 . . . . 0.02 115.986 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 125.674 1.858 . . . . 0.02 115.534 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.67 160.67 38.23 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 126.472 1.925 . . . . 0.02 109.012 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 52' ' ' ILE . 18.1 mm -123.48 140.53 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 115.301 -2.56 . . . . 0.02 110.439 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.547 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 25.5 p30 -112.21 -176.63 2.97 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.818 1.294 . . . . 0.02 112.465 174.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.5 -48.56 96.71 Favored Pre-proline 0 N--CA 1.478 0.967 0 N-CA-C 119.343 3.09 . . . . 0.029999999999999999 119.343 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 41.7 Cg_exo -47.84 -49.15 14.28 Favored 'Trans proline' 0 C--N 1.37 1.673 0 N-CA-C 116.5 1.692 . . . . 0.02 116.5 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.23 -34.42 72.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 125.808 1.643 . . . . 0.02 110.816 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 58.4 t80 -63.04 -41.84 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 123.456 1.598 . . . . 0.02 111.149 174.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.16 -38.57 85.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 117.293 -1.763 . . . . 0.02 113.822 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.9 p -60.17 -44.16 95.25 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 118.271 -1.372 . . . . 0.17999999999999999 112.2 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.427 ' HE3' 'BR ' ' A' ' 149' ' ' HLT . 7.0 ttt -56.55 -43.45 79.95 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 125.686 2.66 . . . . 2.6000000000000001 111.987 172.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -63.69 -25.07 68.04 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.138 -1.846 . . . . 0.02 114.818 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.35 73.61 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 116.908 -1.917 . . . . 0.02 112.629 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' HA ' ' HE3' ' A' ' 76' ' ' MET . 1.5 mmt85 -67.92 -10.95 57.45 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.962 1.838 . . . . 0.02 115.962 171.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -67.55 90.71 0.26 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 118.966 -1.094 . . . . 0.02 112.599 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.513 ' HE3' ' HA ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.501 0 O-C-N 125.591 1.807 . . . . 20.0 111.781 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' HLT . . . . . 0.886 'BR ' ' CE ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.991 0 N-CA-C 106.486 -1.672 . . . . 20.0 106.486 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.61 -69.26 0.64 Allowed 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 128.029 3.331 . . . . 2.9900000000000002 110.954 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.468 ' O ' HD21 ' A' ' 4' ' ' LEU . 80.4 mt-30 -76.48 -65.6 0.91 Allowed 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.342 -1.754 . . . . 0.029999999999999999 110.124 170.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -157.13 177.49 11.43 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.243 -1.762 . . . . 0.02 106.243 -179.574 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.4 p -52.59 154.14 2.77 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 125.508 1.755 . . . . 0.029999999999999999 110.229 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -45.57 -28.69 1.0 Allowed 'General case' 0 C--O 1.223 -0.339 0 O-C-N 125.218 1.574 . . . . 0.029999999999999999 114.748 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.18 -64.21 0.91 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.818 -1.537 . . . . 0.029999999999999999 108.877 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.518 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.0 -46.66 78.67 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 116.328 1.973 . . . . 0.02 116.328 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mt -50.4 -48.93 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 113.885 -1.507 . . . . 0.029999999999999999 113.013 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -49.42 74.1 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 113.728 -1.578 . . . . 0.02 112.785 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.21 -30.06 66.17 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.771 1.397 . . . . 0.029999999999999999 114.771 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.0 m-85 -61.11 -41.9 97.54 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.84 -1.944 . . . . 0.02 112.423 169.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.08 -36.7 82.47 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 117.522 -1.671 . . . . 0.02 113.605 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.18 -43.34 95.94 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 116.675 -2.01 . . . . 0.029999999999999999 113.572 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.07 69.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.187 -1.37 . . . . 0.029999999999999999 113.235 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.29 -44.41 84.03 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 112.728 -2.033 . . . . 0.02 113.323 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -56.3 -37.18 69.54 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.812 1.291 . . . . 0.17000000000000001 113.295 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.6 -25.04 60.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.834 -1.53 . . . . 0.029999999999999999 113.087 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CD1' HG21 ' A' ' 35' ' ' VAL . 15.8 m-30 -74.24 -55.72 5.72 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 113.752 -1.567 . . . . 0.02 111.246 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.32 73.3 3.89 Favored 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 127.167 2.792 . . . . 0.029999999999999999 111.551 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -30.78 69.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 112.327 -2.215 . . . . 0.029999999999999999 113.62 -171.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -84.53 -20.79 31.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 111.754 -2.476 . . . . 0.029999999999999999 112.541 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.83 25.3 75.22 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 117.32 -2.372 . . . . 0.02 113.261 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.42 -3.9 36.45 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 114.764 1.394 . . . . 0.02 114.764 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 21.28 73.69 Favored Glycine 0 C--O 1.227 -0.305 0 CA-C-N 114.373 -1.285 . . . . 0.02 114.923 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -156.27 120.29 4.43 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 124.063 1.887 . . . . 0.02 114.121 -174.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.89 116.89 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 115.083 -2.647 . . . . 0.02 111.239 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 p -87.97 165.41 15.23 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 122.746 1.26 . . . . 0.02 110.727 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -60.47 -42.12 95.59 Favored 'General case' 0 CA--C 1.543 0.692 1 CA-C-O 130.245 4.831 . . . . 0.02 110.224 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.16 -44.56 94.92 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 109.284 -3.598 . . . . 0.029999999999999999 113.14 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.3 mt-10 -56.19 -43.97 78.96 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 125.251 1.594 . . . . 0.02 111.828 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.94 -39.4 59.15 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.454 1.597 . . . . 0.02 112.575 173.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.31 -48.57 74.27 Favored Glycine 0 C--O 1.219 -0.788 0 C-N-CA 116.807 -2.616 . . . . 0.029999999999999999 112.135 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -55.81 -43.73 77.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 117.933 -1.507 . . . . 0.02 114.779 172.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 19' ' ' PHE . 71.9 t -52.87 -68.27 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 125.36 1.662 . . . . 0.02 112.614 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 1.096 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 33.2 mmt -55.94 -39.62 71.97 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 124.126 1.917 . . . . 0.02 112.716 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.32 -36.48 78.03 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.468 -2.151 . . . . 0.02 114.977 174.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -67.65 -35.13 78.31 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.937 1.351 . . . . 0.02 111.726 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.72 -0.96 14.62 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 111.926 -2.397 . . . . 0.029999999999999999 113.367 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.35 55.88 1.52 Allowed Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.016 -1.447 . . . . 0.02 112.6 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -146.44 176.46 9.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 118.945 -1.102 . . . . 0.02 109.017 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.73 101.37 9.7 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 118.089 -1.445 . . . . 0.02 112.174 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -85.76 137.02 5.46 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 O-C-N 125.691 2.416 . . . . 0.02 112.135 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.552 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 10.7 m -74.66 171.39 13.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.691 -1.595 . . . . 0.02 109.8 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.0 -40.68 67.18 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 118.405 -1.318 . . . . 0.02 113.592 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.25 71.3 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 127.099 2.749 . . . . 0.01 109.261 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.46 -23.94 67.61 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 114.55 -2.86 . . . . 0.02 114.344 -175.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.38 -48.81 38.69 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 113.665 -3.214 . . . . 0.02 112.8 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -47.68 85.01 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 110.853 -2.885 . . . . 0.02 112.941 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.32 -42.48 62.28 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 112.312 -2.222 . . . . 0.01 111.539 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.65 -32.12 73.65 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 116.703 -1.999 . . . . 0.02 114.313 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.595 HG22 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.09 -56.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.441 -1.703 . . . . 0.02 111.101 169.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -59.06 -31.76 69.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 123.768 1.746 . . . . 0.02 115.163 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.691 ' HG3' HG12 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.92 -24.63 66.87 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 113.094 -1.866 . . . . 0.01 114.359 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.691 HG12 ' HG3' ' A' ' 54' ' ' GLU . 29.8 m -118.77 12.91 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 125.137 1.523 . . . . 0.02 113.931 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.86 117.99 24.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 122.796 1.284 . . . . 0.02 110.332 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.54 -24.35 20.64 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 114.429 -2.908 . . . . 0.02 113.516 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -92.99 -15.04 26.65 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 113.025 -1.898 . . . . 0.02 114.904 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.68 13.84 82.64 Favored Glycine 0 C--N 1.348 1.233 0 C-N-CA 116.303 -2.856 . . . . 0.02 113.575 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -76.83 -33.18 57.96 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.918 1.451 . . . . 0.02 114.918 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.45 28.68 7.87 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 119.801 -1.19 . . . . 0.02 115.808 -175.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -153.95 159.67 41.78 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 126.428 1.899 . . . . 0.02 108.402 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.595 HG12 HG22 ' A' ' 52' ' ' ILE . 16.9 mm -124.68 143.21 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 115.42 -2.512 . . . . 0.02 110.93 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.609 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 28.3 p30 -112.25 -173.27 2.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 124.567 2.127 . . . . 0.02 113.54 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.257 39.1 t80 -59.36 -51.25 82.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 118.578 2.806 . . . . 0.029999999999999999 118.578 172.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 51.3 Cg_exo -47.17 -51.33 9.59 Favored 'Trans proline' 0 C--N 1.368 1.596 0 N-CA-C 116.49 1.688 . . . . 0.02 116.49 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.34 -36.45 84.06 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 123.289 1.519 . . . . 0.02 111.316 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.82 -44.55 96.63 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 117.058 -1.857 . . . . 0.02 112.307 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.57 -40.66 95.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 118.691 -1.204 . . . . 0.02 112.996 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -61.34 -38.66 87.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 123.582 1.658 . . . . 0.17999999999999999 112.774 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.975 ' HE2' 'BR ' ' A' ' 149' ' ' HLT . 0.7 OUTLIER -60.31 -42.48 95.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 112.98 -1.918 . . . . 2.6000000000000001 112.104 172.617 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.73 -30.3 65.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 113.637 -1.619 . . . . 0.02 115.284 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.45 81.53 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 117.377 -1.729 . . . . 0.02 113.169 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -22.39 64.93 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 113.307 -1.77 . . . . 0.02 115.619 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.636 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 1.6 tmpt? -64.38 94.48 0.11 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.104 -1.039 . . . . 0.02 112.769 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 125.186 1.394 . . . . 20.0 110.77 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' HLT . . . . . 1.096 'BR ' ' CE ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.508 -0.642 0 N-CA-C 107.172 -1.418 . . . . 0.02 107.172 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -59.33 158.84 8.65 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 118.055 -1.458 . . . . 0.03 110.36 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -29.48 2.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 125.661 1.851 . . . . 0.03 114.629 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.83 -64.88 0.69 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 125.206 1.566 . . . . 0.03 111.007 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 26.5 tp60 -57.79 -44.13 86.06 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 116.039 -2.264 . . . . 0.02 115.16 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -53.26 -48.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 113.578 -1.646 . . . . 0.03 113.822 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -49.67 74.05 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 113.844 -1.525 . . . . 0.02 111.019 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.1 mp0 -56.82 -36.81 70.38 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.032 -1.467 . . . . 0.03 113.82 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.58 -33.86 74.6 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 117.681 -1.608 . . . . 0.02 113.853 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -64.14 -43.38 95.4 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 113.637 -1.62 . . . . 0.02 111.455 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.99 -38.9 90.32 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 117.403 -1.719 . . . . 0.03 113.195 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.24 77.46 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.933 -1.031 . . . . 0.03 112.105 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.74 -46.91 87.69 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 126.613 2.445 . . . . 0.02 112.057 174.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 t -56.24 -45.61 79.9 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 123.635 1.683 . . . . 0.17 113.219 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 123.91 1.814 . . . . 0.03 114.994 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 18.5 m-30 -78.8 -57.07 3.94 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 112.259 -2.246 . . . . 0.02 112.215 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.69 73.31 5.84 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 128.189 3.43 . . . . 0.03 111.679 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -63.25 -24.1 67.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 109.636 -3.438 . . . . 0.03 115.312 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.88 -22.22 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 112.378 -2.192 . . . . 0.03 112.284 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 31.05 72.66 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 112.922 -1.945 . . . . 0.02 114.153 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -77.84 -2.88 38.78 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 115.134 1.531 . . . . 0.02 115.134 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.54 18.15 79.31 Favored Glycine 0 CA--C 1.524 0.649 0 O-C-N 124.75 1.281 . . . . 0.02 115.666 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -151.0 116.07 5.29 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.246 1.974 . . . . 0.02 111.306 -172.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.0 mt -82.08 117.95 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 CA-C-N 112.736 -2.029 . . . . 0.02 110.27 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -86.63 170.13 12.1 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 115.261 -2.576 . . . . 0.02 114.183 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -63.02 -41.9 99.65 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-O 129.615 4.531 . . . . 0.02 112.952 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 7.8 tptm -61.78 -42.66 99.28 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.633 -3.439 . . . . 0.03 111.579 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.2 mt-10 -57.34 -38.55 74.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.201 -2.727 . . . . 0.02 112.492 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 tm? -52.8 -38.27 60.96 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 125.746 1.904 . . . . 0.02 111.292 175.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -53.94 -53.46 36.67 Favored Glycine 0 C--N 1.343 0.951 0 C-N-CA 118.134 -1.984 . . . . 0.03 112.079 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.7 m -54.14 -45.79 72.08 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.007 -1.596 . . . . 0.02 114.127 173.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.8 t -51.69 -69.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 127.241 2.217 . . . . 0.02 113.076 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.5 mmt -59.12 -38.29 79.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 125.024 2.345 . . . . 0.02 112.188 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.36 -30.22 71.39 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 112.655 -2.066 . . . . 0.02 115.191 175.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.7 p -75.45 -29.25 59.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 117.642 -1.623 . . . . 0.02 111.64 -174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.62 -2.2 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 113.16 -1.836 . . . . 0.03 112.553 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.96 66.16 1.32 Allowed Glycine 0 C--O 1.218 -0.887 0 CA-C-N 113.246 -1.797 . . . . 0.02 110.674 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -152.72 170.8 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.587 -1.264 . . . . 0.02 107.587 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -132.83 101.35 14.07 Favored Pre-proline 0 CA--C 1.504 -0.796 0 C-N-CA 117.977 -1.489 . . . . 0.02 111.586 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -85.3 150.97 10.58 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 O-C-N 127.978 3.62 . . . . 0.02 112.132 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 48' ' ' LEU . 98.0 m -86.0 164.55 17.31 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 113.541 -1.663 . . . . 0.02 109.627 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.38 -40.7 65.22 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 118.077 -1.449 . . . . 0.02 112.535 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.37 84.55 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 111.369 -2.651 . . . . 0.01 110.604 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.4 -25.1 61.72 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 114.796 -2.762 . . . . 0.02 114.353 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -71.08 -44.99 64.6 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 115.033 -2.667 . . . . 0.02 113.485 178.836 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -65.26 -40.23 93.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 111.438 -2.619 . . . . 0.02 114.575 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -80.29 -46.74 15.66 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 111.577 -2.556 . . . . 0.01 111.049 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.567 ' O ' HG22 ' A' ' 55' ' ' VAL . 23.1 mmt -55.34 -39.49 70.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.142 -1.423 . . . . 0.02 113.756 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.448 HG23 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -63.61 -58.69 6.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 C-N-CA 117.864 -1.534 . . . . 0.02 110.999 174.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -58.16 -33.05 68.79 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 123.994 1.854 . . . . 0.02 115.665 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.767 ' HG3' HG13 ' A' ' 55' ' ' VAL . 15.9 pt-20 -64.9 -25.88 68.08 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 113.564 -1.653 . . . . 0.01 114.328 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.767 HG13 ' HG3' ' A' ' 54' ' ' GLU . 33.5 m -118.1 16.24 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 125.287 1.617 . . . . 0.02 114.079 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.44 116.35 25.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 123.273 1.511 . . . . 0.02 110.731 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.19 -26.06 25.32 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 114.465 -2.894 . . . . 0.02 114.002 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -92.02 -14.62 29.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.374 1.671 . . . . 0.02 114.776 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.35 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 116.187 -2.911 . . . . 0.02 113.48 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -75.05 -32.61 61.59 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 115.554 1.687 . . . . 0.02 115.554 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.63 31.46 6.06 Favored Glycine 0 C--N 1.339 0.723 0 O-C-N 124.707 1.254 . . . . 0.02 115.777 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -152.84 161.03 43.07 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 126.144 1.732 . . . . 0.02 108.503 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG12 HG23 ' A' ' 52' ' ' ILE . 30.6 mm -125.05 136.27 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 115.09 -2.644 . . . . 0.02 111.345 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.553 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 18.3 p30 -110.89 179.35 4.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 123.914 1.816 . . . . 0.02 112.846 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.22 -50.97 84.45 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 117.813 2.523 . . . . 0.03 117.813 173.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 31.2 Cg_exo -47.89 -44.9 26.13 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 116.52 1.7 . . . . 0.02 116.52 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -69.28 -40.9 77.46 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.082 0.953 . . . . 0.02 109.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.546 ' CE1' ' HE2' ' A' ' 19' ' ' PHE . 90.1 t80 -56.64 -42.0 78.15 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 118.859 -1.136 . . . . 0.02 111.701 174.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -40.8 96.91 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.399 1.259 . . . . 0.02 114.399 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 117.125 -1.83 . . . . 0.18 113.377 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -58.24 -42.07 85.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 125.048 2.356 . . . . 2.6 111.31 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mmm -59.97 -35.6 75.35 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 113.447 -1.706 . . . . 0.02 114.869 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.41 0 CA-C-N 112.916 -1.947 . . . . 0.02 113.134 172.4 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.503 -0.841 0 N-CA-C 106.209 -1.775 . . . . 0.02 106.209 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -52.52 154.09 2.74 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 125.483 1.739 . . . . 0.03 110.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -45.44 -28.84 0.97 Allowed 'General case' 0 C--O 1.222 -0.389 0 O-C-N 125.208 1.568 . . . . 0.03 114.812 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.01 -64.25 0.89 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.925 -1.488 . . . . 0.03 108.92 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.542 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.09 -46.57 79.01 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 116.323 1.971 . . . . 0.02 116.323 -179.55 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.3 mt -50.41 -48.98 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 113.973 -1.467 . . . . 0.03 112.999 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.43 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 113.741 -1.572 . . . . 0.02 112.826 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.542 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.29 -29.9 66.21 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.825 1.417 . . . . 0.03 114.825 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.1 m-85 -61.19 -41.95 97.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.904 -1.918 . . . . 0.02 112.403 169.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.06 -36.7 82.41 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 117.54 -1.664 . . . . 0.02 113.642 171.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.1 -43.49 95.54 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 116.668 -2.013 . . . . 0.03 113.558 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.13 69.61 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.199 -1.364 . . . . 0.03 113.279 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.19 -44.46 83.62 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.778 -2.01 . . . . 0.02 113.294 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 t -56.3 -37.06 69.37 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 122.979 1.371 . . . . 0.17 113.342 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.74 -24.99 59.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 113.805 -1.543 . . . . 0.03 113.098 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.9 m-30 -74.32 -55.72 5.69 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-N 113.75 -1.568 . . . . 0.02 111.241 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.34 73.37 3.91 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 127.224 2.827 . . . . 0.03 111.608 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -30.66 69.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 112.389 -2.187 . . . . 0.03 113.666 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -84.59 -20.89 30.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 111.772 -2.467 . . . . 0.03 112.558 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.93 25.36 74.99 Favored Glycine 0 C--N 1.348 1.237 0 C-N-CA 117.35 -2.357 . . . . 0.02 113.214 -174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.33 -3.87 35.97 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 114.775 1.398 . . . . 0.02 114.775 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.63 74.58 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 114.395 -1.275 . . . . 0.02 114.695 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -153.94 130.4 10.59 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 123.34 1.543 . . . . 0.02 110.833 -176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.0 mt -82.25 116.14 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 116.086 -2.246 . . . . 0.02 110.285 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -85.94 165.38 16.79 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 116.437 -2.105 . . . . 0.02 112.929 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.403 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 10.7 p -60.01 -42.66 94.77 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-O 130.594 4.997 . . . . 0.02 110.47 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.02 -44.3 94.68 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 109.426 -3.533 . . . . 0.03 113.12 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.5 mt-10 -56.24 -44.05 79.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 125.367 1.667 . . . . 0.02 111.824 174.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.89 -39.39 58.96 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 123.52 1.629 . . . . 0.02 112.56 173.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.27 -48.61 73.74 Favored Glycine 0 C--O 1.219 -0.794 0 C-N-CA 116.829 -2.605 . . . . 0.03 112.216 174.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 m -55.84 -43.7 77.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.055 -1.458 . . . . 0.02 114.792 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.673 HG22 ' CD1' ' A' ' 19' ' ' PHE . 72.7 t -52.8 -68.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 125.465 1.728 . . . . 0.02 112.628 175.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.2 mmt -55.99 -39.63 72.15 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 124.196 1.95 . . . . 0.02 112.763 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.27 -36.49 77.95 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 112.557 -2.111 . . . . 0.02 114.978 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -67.67 -35.15 78.32 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 123.052 1.406 . . . . 0.02 111.703 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.68 -1.0 14.62 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 111.967 -2.379 . . . . 0.03 113.368 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.36 55.79 1.53 Allowed Glycine 0 C--N 1.344 0.992 0 CA-C-N 113.957 -1.474 . . . . 0.02 112.63 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -146.28 176.57 9.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 119.02 -1.072 . . . . 0.02 109.102 -176.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -136.79 101.3 9.66 Favored Pre-proline 0 N--CA 1.471 0.596 0 C-N-CA 118.087 -1.445 . . . . 0.02 112.135 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 137.01 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 O-C-N 126.052 2.606 . . . . 0.02 112.065 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.513 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 m -74.82 171.49 13.89 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 113.599 -1.637 . . . . 0.02 109.696 174.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.1 -40.64 67.46 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 118.523 -1.271 . . . . 0.02 113.494 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.93 -46.16 71.45 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 127.228 2.83 . . . . 0.01 109.212 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.47 -23.9 67.6 Favored 'General case' 0 C--O 1.205 -1.264 0 C-N-CA 114.601 -2.84 . . . . 0.02 114.454 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.42 -48.81 38.26 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 113.93 -3.108 . . . . 0.02 112.679 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -47.91 83.94 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 110.834 -2.894 . . . . 0.02 112.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.16 -42.51 62.73 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.278 -2.237 . . . . 0.01 111.582 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -64.76 -31.95 73.42 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.684 -2.006 . . . . 0.02 114.267 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.598 HG23 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.14 -56.52 14.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.391 -1.724 . . . . 0.02 111.101 169.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -58.99 -31.83 69.13 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 123.792 1.758 . . . . 0.02 115.185 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.688 ' HG3' HG13 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.91 -24.65 66.88 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.201 -1.818 . . . . 0.01 114.345 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 54' ' ' GLU . 30.4 m -118.77 12.97 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 O-C-N 125.142 1.526 . . . . 0.02 113.923 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -85.07 118.16 24.47 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 123.003 1.382 . . . . 0.02 110.285 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.66 -24.38 20.5 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 114.421 -2.911 . . . . 0.02 113.532 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -92.98 -15.01 26.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 112.972 -1.922 . . . . 0.02 114.894 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 14.24 82.11 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 116.281 -2.866 . . . . 0.02 113.65 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -76.9 -33.64 57.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 115.017 1.488 . . . . 0.02 115.017 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.81 28.59 7.75 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 115.845 1.098 . . . . 0.02 115.845 -175.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -153.91 159.66 41.83 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 126.431 1.901 . . . . 0.02 108.305 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.598 HG12 HG23 ' A' ' 52' ' ' ILE . 17.0 mm -124.54 143.37 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 115.354 -2.539 . . . . 0.02 110.891 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 27.7 p-10 -112.33 -173.33 2.22 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 124.62 2.152 . . . . 0.02 113.569 173.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.258 39.3 t80 -59.36 -51.27 82.58 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 118.586 2.81 . . . . 0.03 118.586 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 52.3 Cg_exo -47.07 -51.48 9.3 Favored 'Trans proline' 0 C--N 1.366 1.48 0 N-CA-C 116.503 1.693 . . . . 0.02 116.503 174.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.24 -36.49 84.29 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.292 1.52 . . . . 0.02 111.321 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.79 -44.63 96.48 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 117.143 -1.823 . . . . 0.02 112.278 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.55 -40.65 95.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.857 -1.152 . . . . 0.02 112.989 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -61.39 -38.73 88.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 123.599 1.666 . . . . 0.18 112.76 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -42.53 95.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 113.006 -1.906 . . . . 2.6 112.169 172.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.494 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.71 -30.35 65.45 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 115.3 1.592 . . . . 0.02 115.3 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 117.495 -1.682 . . . . 0.02 113.187 171.73 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 108.205 -1.035 . . . . 0.02 108.205 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 p -60.98 157.85 14.61 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 117.157 -1.817 . . . . 0.03 110.838 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.29 -30.4 3.07 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 115.328 1.603 . . . . 0.03 115.328 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.03 -61.98 1.92 Allowed 'General case' 0 C--N 1.344 0.346 0 O-C-N 125.523 1.764 . . . . 0.03 110.915 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.467 HE21 ' HE1' ' A' ' 12' ' ' PHE . 52.6 tp60 -60.46 -46.44 90.07 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 116.642 -2.023 . . . . 0.02 114.714 -177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -50.53 -47.55 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 114.427 -1.26 . . . . 0.03 113.831 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -55.35 -51.03 68.11 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 113.874 -1.512 . . . . 0.02 112.006 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.43 -22.98 67.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 115.12 1.526 . . . . 0.03 115.12 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' HE1' HE21 ' A' ' 8' ' ' GLN . 16.2 m-30 -62.11 -36.56 82.12 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 116.903 -1.919 . . . . 0.02 111.454 170.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -59.43 -43.84 93.03 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 118.593 -1.243 . . . . 0.02 112.6 170.553 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.41 -36.65 80.92 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 124.137 1.923 . . . . 0.03 113.55 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.27 89.94 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.892 -1.504 . . . . 0.03 113.037 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -54.97 -47.28 74.77 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.381 -2.191 . . . . 0.02 111.013 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -54.55 -40.08 68.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 113.454 -1.703 . . . . 0.17 113.605 174.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.74 -39.7 71.5 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 117.266 -1.774 . . . . 0.03 114.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' HB2' HG12 ' A' ' 27' ' ' ILE . 38.5 m-85 -72.63 -63.54 1.14 Allowed 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 116.532 -2.067 . . . . 0.02 109.924 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -81.43 75.72 8.38 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 125.877 1.985 . . . . 0.03 113.193 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -21.88 65.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 117.136 -1.826 . . . . 0.03 114.538 -175.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.86 -21.14 34.43 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 112.12 -2.309 . . . . 0.03 112.907 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.35 27.5 71.44 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 117.199 -2.429 . . . . 0.02 114.054 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -75.48 -6.47 50.32 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.055 1.132 . . . . 0.02 114.055 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.09 20.53 77.42 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 125.105 1.503 . . . . 0.02 114.481 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -150.06 116.4 5.74 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 123.98 1.847 . . . . 0.02 111.166 -174.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 96.4 mt -83.21 114.72 24.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 113.145 -1.843 . . . . 0.02 109.66 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -82.44 165.87 19.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 124.302 2.001 . . . . 0.02 113.993 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.9 p -61.34 -43.81 98.24 Favored 'General case' 0 N--CA 1.467 0.412 1 CA-C-O 128.618 4.056 . . . . 0.02 111.695 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.664 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.47 -39.48 70.43 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 109.775 -3.375 . . . . 0.03 114.098 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.13 -41.06 90.99 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 111.84 -2.436 . . . . 0.02 113.421 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -47.94 -49.87 28.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 124.578 2.132 . . . . 0.02 110.266 172.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.04 99.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 112.165 -2.289 . . . . 0.03 112.873 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -51.58 -54.37 28.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 114.487 1.291 . . . . 0.02 114.487 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.55 -45.71 66.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 C-N-CA 116.405 -2.118 . . . . 0.02 114.428 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mmt -51.31 -37.84 49.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 115.932 -2.307 . . . . 0.02 113.31 174.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -44.49 94.63 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 112.48 -2.145 . . . . 0.02 115.158 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.0 p -58.53 -33.83 70.32 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.909 1.337 . . . . 0.02 113.504 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.29 -1.02 11.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 113.017 -1.901 . . . . 0.03 113.907 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.49 56.71 1.97 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 114.174 -1.376 . . . . 0.02 110.85 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -148.03 171.08 16.4 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 125.034 1.079 . . . . 0.02 109.429 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -132.46 101.8 14.36 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 118.13 -1.428 . . . . 0.02 113.044 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -82.87 135.56 7.76 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 O-C-N 125.838 2.494 . . . . 0.02 110.903 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 m -74.44 166.6 23.23 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 113.809 -1.541 . . . . 0.02 109.629 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.38 -40.92 62.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.57 -1.252 . . . . 0.02 113.348 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.85 71.4 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-N 111.082 -2.781 . . . . 0.01 110.327 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.79 -23.11 63.02 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 115.103 -2.639 . . . . 0.02 115.212 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 30' ' ' LYS . 7.1 mp -72.85 -45.93 55.67 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 114.133 -3.027 . . . . 0.02 112.374 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -41.81 98.88 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.515 -2.584 . . . . 0.02 114.319 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.52 -42.44 25.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.678 -2.056 . . . . 0.01 110.472 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.523 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -59.71 -39.54 84.99 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 117.268 -1.773 . . . . 0.02 113.512 175.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.415 HG23 HG12 ' A' ' 63' ' ' ILE . 2.6 mt -64.33 -52.49 55.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 116.665 -2.014 . . . . 0.02 109.979 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -51.22 -35.18 35.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.676 2.102 . . . . 0.02 116.676 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG3' HG13 ' A' ' 55' ' ' VAL . 12.4 pt-20 -75.63 -24.06 56.43 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.055 -1.884 . . . . 0.01 113.75 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 51' ' ' MET . 19.6 m -119.47 15.01 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 O-C-N 125.258 1.599 . . . . 0.02 113.636 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -87.05 121.71 29.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.947 1.404 . . . . 0.02 110.741 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.49 -25.18 19.4 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 114.796 -2.762 . . . . 0.02 113.985 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -92.47 -13.52 29.81 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 113.374 -1.739 . . . . 0.02 114.791 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 10.47 84.62 Favored Glycine 0 C--N 1.347 1.194 0 C-N-CA 115.4 -3.286 . . . . 0.02 113.54 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -73.89 -32.8 63.76 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 115.297 1.591 . . . . 0.02 115.297 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 35.03 5.95 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 125.382 1.676 . . . . 0.02 114.772 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -155.14 161.98 41.1 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 127.324 2.426 . . . . 0.02 108.334 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 17.9 mm -127.7 132.18 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 117.109 -1.836 . . . . 0.02 112.667 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -109.47 176.32 5.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 124.439 2.066 . . . . 0.02 114.03 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.59 -51.83 78.21 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 117.58 2.437 . . . . 0.03 117.58 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -44.86 -46.48 12.79 Favored 'Trans proline' 0 C--N 1.369 1.615 0 N-CA-C 116.629 1.742 . . . . 0.02 116.629 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.26 -30.87 68.02 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 123.067 1.413 . . . . 0.02 113.204 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.02 -43.25 83.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.188 -1.369 . . . . 0.02 111.24 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.34 92.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.192 -1.822 . . . . 0.02 114.814 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.2 p -59.68 -41.03 89.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 123.272 1.51 . . . . 0.18 112.686 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.9 ttp -62.7 -43.12 99.62 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 124.409 2.052 . . . . 2.6 111.63 174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.8 mmt -58.27 -30.87 66.92 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 112.716 -2.038 . . . . 0.02 114.598 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.336 0 CA-C-O 123.236 1.493 . . . . 0.02 114.283 174.241 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 N-CA-C 107.234 -1.395 . . . . 0.02 107.234 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -58.32 159.05 6.5 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 117.807 -1.557 . . . . 0.03 110.183 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -49.01 -30.56 6.22 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 124.706 1.254 . . . . 0.03 114.236 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -52.87 -64.39 0.83 Allowed 'General case' 0 C--N 1.347 0.492 0 O-C-N 125.089 1.493 . . . . 0.03 110.157 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.47 -47.36 73.06 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 117.319 -1.752 . . . . 0.02 115.195 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.63 -47.91 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.231 1.491 . . . . 0.03 113.373 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.98 69.01 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 112.943 -1.935 . . . . 0.02 111.547 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.02 -30.23 69.02 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 118.206 -1.397 . . . . 0.03 113.952 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -64.71 -31.19 72.31 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.52 -1.672 . . . . 0.02 112.602 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.38 -42.5 92.61 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 117.056 -1.858 . . . . 0.02 111.508 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.44 -35.36 79.02 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 124.232 1.968 . . . . 0.03 114.563 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -65.63 -36.27 83.21 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.284 -1.78 . . . . 0.03 112.495 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.91 -53.97 34.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 126.269 2.231 . . . . 0.02 111.568 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -53.29 -37.74 62.48 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 123.666 1.698 . . . . 0.17 114.15 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 15' ' ' ALA . 36.1 mt -60.4 -30.94 69.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 115.4 1.63 . . . . 0.03 115.4 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HB3' HG23 ' A' ' 27' ' ' ILE . 55.0 m-85 -74.82 -62.29 1.59 Allowed 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 114.222 -2.991 . . . . 0.02 110.127 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.81 78.75 5.25 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 126.869 2.606 . . . . 0.03 112.285 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HE3' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -65.53 -17.43 64.56 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.019 -1.9 . . . . 0.03 114.133 -174.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -102.32 -21.75 14.25 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 111.416 -2.629 . . . . 0.03 111.953 -174.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.9 27.65 60.16 Favored Glycine 0 C--N 1.347 1.192 0 C-N-CA 116.106 -2.949 . . . . 0.02 114.658 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 22' ' ' ASP . 30.9 p30 -75.98 -3.46 35.75 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.325 1.232 . . . . 0.02 114.325 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.08 25.13 75.65 Favored Glycine 0 C--N 1.337 0.604 0 O-C-N 124.568 1.167 . . . . 0.02 114.482 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -152.81 117.82 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 123.764 1.745 . . . . 0.02 110.985 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 19' ' ' PHE . 81.7 mt -85.85 115.66 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 111.733 -2.485 . . . . 0.02 110.425 173.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -82.63 163.57 21.33 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.901 1.334 . . . . 0.02 113.101 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 p -59.36 -43.01 92.89 Favored 'General case' 0 C--O 1.239 0.515 1 CA-C-O 128.802 4.144 . . . . 0.02 112.436 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.78 -44.0 90.56 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 109.026 -3.715 . . . . 0.03 112.818 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' HE3' ' A' ' 21' ' ' LYS . 68.8 mt-10 -57.16 -43.42 82.51 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.028 -1.896 . . . . 0.02 112.612 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -54.9 -45.82 74.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.629 1.681 . . . . 0.02 110.749 174.419 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 56.99 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 112.91 -1.95 . . . . 0.03 113.123 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -52.22 -47.24 65.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 118.234 -1.387 . . . . 0.02 113.948 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.02 -51.86 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 117.277 -1.769 . . . . 0.02 114.576 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.4 mmt -50.78 -43.66 58.61 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 116.696 -2.002 . . . . 0.02 114.114 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -44.19 93.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 112.676 -2.056 . . . . 0.02 115.425 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.6 p -64.72 -33.37 75.81 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 123.129 1.442 . . . . 0.02 113.086 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.82 -1.64 9.91 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 112.285 -2.234 . . . . 0.03 113.257 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.96 54.3 1.78 Allowed Glycine 0 C--N 1.341 0.839 0 C-N-CA 119.813 -1.184 . . . . 0.02 111.351 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -146.9 174.21 11.71 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.005 -1.097 . . . . 0.02 108.541 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -137.2 101.25 9.29 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 117.654 -1.619 . . . . 0.02 112.918 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -84.37 139.17 7.88 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 O-C-N 125.607 2.372 . . . . 0.02 111.101 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.62 165.94 23.73 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 113.849 -1.523 . . . . 0.02 110.52 172.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.24 -43.98 61.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.866 -1.134 . . . . 0.02 113.028 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.69 69.66 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 127.228 2.83 . . . . 0.01 110.421 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -57.9 -29.27 64.95 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 114.83 -2.748 . . . . 0.02 114.606 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -44.16 80.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 114.128 -3.029 . . . . 0.02 113.807 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -46.79 73.18 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 111.04 -2.8 . . . . 0.02 113.221 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -72.15 -38.24 69.24 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.254 -2.248 . . . . 0.01 111.43 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -65.6 -36.19 83.0 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.125 -1.43 . . . . 0.02 113.714 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 63' ' ' ILE . 2.1 mt -66.31 -54.39 26.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 117.836 -1.546 . . . . 0.02 110.395 172.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.36 -28.61 69.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 113.187 -1.824 . . . . 0.02 115.383 -173.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.547 ' HG3' HG13 ' A' ' 55' ' ' VAL . 16.6 pt-20 -66.38 -28.93 69.02 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.15 -1.82 . . . . 0.01 113.726 176.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 54' ' ' GLU . 23.9 m -113.21 14.89 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 113.016 -1.902 . . . . 0.02 113.802 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -86.69 121.24 28.92 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 123.474 1.607 . . . . 0.02 111.231 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.94 -25.18 21.05 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 113.873 -3.131 . . . . 0.02 114.31 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -93.1 -15.39 26.12 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 125.335 1.647 . . . . 0.02 114.594 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.82 10.85 85.95 Favored Glycine 0 C--N 1.345 1.039 0 C-N-CA 115.813 -3.089 . . . . 0.02 113.61 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -73.73 -31.36 63.33 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.986 1.847 . . . . 0.02 115.986 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 125.674 1.858 . . . . 0.02 115.534 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.67 160.67 38.23 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 126.472 1.925 . . . . 0.02 109.012 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG12 HG23 ' A' ' 52' ' ' ILE . 18.1 mm -123.48 140.53 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 115.301 -2.56 . . . . 0.02 110.439 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.537 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 25.5 p30 -112.21 -176.63 2.97 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.818 1.294 . . . . 0.02 112.465 174.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.5 -48.56 96.71 Favored Pre-proline 0 N--CA 1.478 0.967 0 N-CA-C 119.343 3.09 . . . . 0.03 119.343 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 41.7 Cg_exo -47.84 -49.15 14.28 Favored 'Trans proline' 0 C--N 1.37 1.673 0 N-CA-C 116.5 1.692 . . . . 0.02 116.5 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.23 -34.42 72.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 125.808 1.643 . . . . 0.02 110.816 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 58.4 t80 -63.04 -41.84 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 123.456 1.598 . . . . 0.02 111.149 174.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.16 -38.57 85.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 117.293 -1.763 . . . . 0.02 113.822 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.9 p -60.17 -44.16 95.25 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 118.271 -1.372 . . . . 0.18 112.2 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ttt -56.55 -43.45 79.95 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 125.686 2.66 . . . . 2.6 111.987 172.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -63.69 -25.07 68.04 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.138 -1.846 . . . . 0.02 114.818 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.373 0 C-N-CA 116.908 -1.917 . . . . 0.02 112.629 171.448 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.502 -0.872 0 N-CA-C 106.243 -1.762 . . . . 0.02 106.243 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.4 p -52.59 154.14 2.77 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 125.508 1.755 . . . . 0.03 110.229 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -45.57 -28.69 1.0 Allowed 'General case' 0 C--O 1.223 -0.339 0 O-C-N 125.218 1.574 . . . . 0.03 114.748 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.18 -64.21 0.91 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.818 -1.537 . . . . 0.03 108.877 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.0 -46.66 78.67 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 116.328 1.973 . . . . 0.02 116.328 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mt -50.4 -48.93 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 113.885 -1.507 . . . . 0.03 113.013 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -49.42 74.1 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 113.728 -1.578 . . . . 0.02 112.785 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.21 -30.06 66.17 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.771 1.397 . . . . 0.03 114.771 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.0 m-85 -61.11 -41.9 97.54 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.84 -1.944 . . . . 0.02 112.423 169.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.08 -36.7 82.47 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 117.522 -1.671 . . . . 0.02 113.605 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.18 -43.34 95.94 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 116.675 -2.01 . . . . 0.03 113.572 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.07 69.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.187 -1.37 . . . . 0.03 113.235 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.29 -44.41 84.03 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 112.728 -2.033 . . . . 0.02 113.323 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -56.3 -37.18 69.54 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.812 1.291 . . . . 0.17 113.295 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.6 -25.04 60.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.834 -1.53 . . . . 0.03 113.087 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.8 m-30 -74.24 -55.72 5.72 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 113.752 -1.567 . . . . 0.02 111.246 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.32 73.3 3.89 Favored 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 127.167 2.792 . . . . 0.03 111.551 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -30.78 69.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 112.327 -2.215 . . . . 0.03 113.62 -171.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -84.53 -20.79 31.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 111.754 -2.476 . . . . 0.03 112.541 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.83 25.3 75.22 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 117.32 -2.372 . . . . 0.02 113.261 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.42 -3.9 36.45 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 114.764 1.394 . . . . 0.02 114.764 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 21.28 73.69 Favored Glycine 0 C--O 1.227 -0.305 0 CA-C-N 114.373 -1.285 . . . . 0.02 114.923 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -156.27 120.29 4.43 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 124.063 1.887 . . . . 0.02 114.121 -174.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.89 116.89 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 115.083 -2.647 . . . . 0.02 111.239 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 p -87.97 165.41 15.23 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 122.746 1.26 . . . . 0.02 110.727 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -60.47 -42.12 95.59 Favored 'General case' 0 CA--C 1.543 0.692 1 CA-C-O 130.245 4.831 . . . . 0.02 110.224 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.16 -44.56 94.92 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 109.284 -3.598 . . . . 0.03 113.14 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.3 mt-10 -56.19 -43.97 78.96 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 125.251 1.594 . . . . 0.02 111.828 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.94 -39.4 59.15 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.454 1.597 . . . . 0.02 112.575 173.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.31 -48.57 74.27 Favored Glycine 0 C--O 1.219 -0.788 0 C-N-CA 116.807 -2.616 . . . . 0.03 112.135 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -55.81 -43.73 77.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 117.933 -1.507 . . . . 0.02 114.779 172.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.674 HG22 ' CD1' ' A' ' 19' ' ' PHE . 71.9 t -52.87 -68.27 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 125.36 1.662 . . . . 0.02 112.614 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.2 mmt -55.94 -39.62 71.97 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 124.126 1.917 . . . . 0.02 112.716 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.32 -36.48 78.03 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.468 -2.151 . . . . 0.02 114.977 174.638 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -67.65 -35.13 78.31 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.937 1.351 . . . . 0.02 111.726 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.72 -0.96 14.62 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 111.926 -2.397 . . . . 0.03 113.367 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.35 55.88 1.52 Allowed Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.016 -1.447 . . . . 0.02 112.6 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -146.44 176.46 9.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 118.945 -1.102 . . . . 0.02 109.017 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.73 101.37 9.7 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 118.089 -1.445 . . . . 0.02 112.174 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -85.76 137.02 5.46 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 O-C-N 125.691 2.416 . . . . 0.02 112.135 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.51 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 10.7 m -74.66 171.39 13.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.691 -1.595 . . . . 0.02 109.8 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.0 -40.68 67.18 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 118.405 -1.318 . . . . 0.02 113.592 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.25 71.3 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 127.099 2.749 . . . . 0.01 109.261 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.46 -23.94 67.61 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 114.55 -2.86 . . . . 0.02 114.344 -175.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.38 -48.81 38.69 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 113.665 -3.214 . . . . 0.02 112.8 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -47.68 85.01 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 110.853 -2.885 . . . . 0.02 112.941 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.32 -42.48 62.28 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 112.312 -2.222 . . . . 0.01 111.539 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.461 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -64.65 -32.12 73.65 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 116.703 -1.999 . . . . 0.02 114.313 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.598 HG23 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.09 -56.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.441 -1.703 . . . . 0.02 111.101 169.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -59.06 -31.76 69.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 123.768 1.746 . . . . 0.02 115.163 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.687 ' HG3' HG13 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.92 -24.63 66.87 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 113.094 -1.866 . . . . 0.01 114.359 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.687 HG13 ' HG3' ' A' ' 54' ' ' GLU . 29.8 m -118.77 12.91 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 125.137 1.523 . . . . 0.02 113.931 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.86 117.99 24.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 122.796 1.284 . . . . 0.02 110.332 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.54 -24.35 20.64 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 114.429 -2.908 . . . . 0.02 113.516 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -92.99 -15.04 26.65 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 113.025 -1.898 . . . . 0.02 114.904 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.68 13.84 82.64 Favored Glycine 0 C--N 1.348 1.233 0 C-N-CA 116.303 -2.856 . . . . 0.02 113.575 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -76.83 -33.18 57.96 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.918 1.451 . . . . 0.02 114.918 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.45 28.68 7.87 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 119.801 -1.19 . . . . 0.02 115.808 -175.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -153.95 159.67 41.78 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 126.428 1.899 . . . . 0.02 108.402 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.598 HG12 HG23 ' A' ' 52' ' ' ILE . 16.9 mm -124.68 143.21 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 115.42 -2.512 . . . . 0.02 110.93 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.601 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 28.3 p30 -112.25 -173.27 2.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 124.567 2.127 . . . . 0.02 113.54 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.257 39.1 t80 -59.36 -51.25 82.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 118.578 2.806 . . . . 0.03 118.578 172.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.601 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 51.3 Cg_exo -47.17 -51.33 9.59 Favored 'Trans proline' 0 C--N 1.368 1.596 0 N-CA-C 116.49 1.688 . . . . 0.02 116.49 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.34 -36.45 84.06 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 123.289 1.519 . . . . 0.02 111.316 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.82 -44.55 96.63 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 117.058 -1.857 . . . . 0.02 112.307 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.57 -40.66 95.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 118.691 -1.204 . . . . 0.02 112.996 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -61.34 -38.66 87.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 123.582 1.658 . . . . 0.18 112.774 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -42.48 95.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 112.98 -1.918 . . . . 2.6 112.104 172.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.73 -30.3 65.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 113.637 -1.619 . . . . 0.02 115.284 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 117.377 -1.729 . . . . 0.02 113.169 171.792 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.956 0 N-CA-C 105.053 -2.203 . . . . 1.25 105.053 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -86.38 -68.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 126.953 2.658 . . . . 2.99 109.676 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.498 ' O ' HD22 ' A' ' 4' ' ' LEU . 93.2 mm-40 -74.4 -60.62 2.19 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.847 -1.978 . . . . 0.03 110.014 171.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER -153.93 -174.58 5.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 112.901 -1.954 . . . . 0.02 107.172 179.306 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -59.33 158.84 8.65 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 118.055 -1.458 . . . . 0.03 110.36 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -29.48 2.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 125.661 1.851 . . . . 0.03 114.629 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.83 -64.88 0.69 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 125.206 1.566 . . . . 0.03 111.007 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 26.5 tp60 -57.79 -44.13 86.06 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 116.039 -2.264 . . . . 0.02 115.16 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -53.26 -48.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 113.578 -1.646 . . . . 0.03 113.822 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -49.67 74.05 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 113.844 -1.525 . . . . 0.02 111.019 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.1 mp0 -56.82 -36.81 70.38 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.032 -1.467 . . . . 0.03 113.82 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.58 -33.86 74.6 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 117.681 -1.608 . . . . 0.02 113.853 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -64.14 -43.38 95.4 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 113.637 -1.62 . . . . 0.02 111.455 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.99 -38.9 90.32 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 117.403 -1.719 . . . . 0.03 113.195 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.24 77.46 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.933 -1.031 . . . . 0.03 112.105 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.74 -46.91 87.69 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 126.613 2.445 . . . . 0.02 112.057 174.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 t -56.24 -45.61 79.9 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 123.635 1.683 . . . . 0.17 113.219 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 123.91 1.814 . . . . 0.03 114.994 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 18.5 m-30 -78.8 -57.07 3.94 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 112.259 -2.246 . . . . 0.02 112.215 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.69 73.31 5.84 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 128.189 3.43 . . . . 0.03 111.679 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -63.25 -24.1 67.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 109.636 -3.438 . . . . 0.03 115.312 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.88 -22.22 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 112.378 -2.192 . . . . 0.03 112.284 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 31.05 72.66 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 112.922 -1.945 . . . . 0.02 114.153 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -77.84 -2.88 38.78 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 115.134 1.531 . . . . 0.02 115.134 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.54 18.15 79.31 Favored Glycine 0 CA--C 1.524 0.649 0 O-C-N 124.75 1.281 . . . . 0.02 115.666 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -151.0 116.07 5.29 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.246 1.974 . . . . 0.02 111.306 -172.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.0 mt -82.08 117.95 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 CA-C-N 112.736 -2.029 . . . . 0.02 110.27 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -86.63 170.13 12.1 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 115.261 -2.576 . . . . 0.02 114.183 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -63.02 -41.9 99.65 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-O 129.615 4.531 . . . . 0.02 112.952 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 7.8 tptm -61.78 -42.66 99.28 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.633 -3.439 . . . . 0.03 111.579 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.2 mt-10 -57.34 -38.55 74.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.201 -2.727 . . . . 0.02 112.492 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 tm? -52.8 -38.27 60.96 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 125.746 1.904 . . . . 0.02 111.292 175.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -53.94 -53.46 36.67 Favored Glycine 0 C--N 1.343 0.951 0 C-N-CA 118.134 -1.984 . . . . 0.03 112.079 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.7 m -54.14 -45.79 72.08 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.007 -1.596 . . . . 0.02 114.127 173.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.8 t -51.69 -69.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 127.241 2.217 . . . . 0.02 113.076 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 1.0 ' SD ' 'CL ' ' A' ' 149' ' ' HLT . 29.5 mmt -59.12 -38.29 79.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 125.024 2.345 . . . . 0.02 112.188 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.36 -30.22 71.39 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 112.655 -2.066 . . . . 0.02 115.191 175.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.7 p -75.45 -29.25 59.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 117.642 -1.623 . . . . 0.02 111.64 -174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.62 -2.2 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 113.16 -1.836 . . . . 0.03 112.553 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.96 66.16 1.32 Allowed Glycine 0 C--O 1.218 -0.887 0 CA-C-N 113.246 -1.797 . . . . 0.02 110.674 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -152.72 170.8 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.587 -1.264 . . . . 0.02 107.587 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -132.83 101.35 14.07 Favored Pre-proline 0 CA--C 1.504 -0.796 0 C-N-CA 117.977 -1.489 . . . . 0.02 111.586 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -85.3 150.97 10.58 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 O-C-N 127.978 3.62 . . . . 0.02 112.132 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 48' ' ' LEU . 98.0 m -86.0 164.55 17.31 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 113.541 -1.663 . . . . 0.02 109.627 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.38 -40.7 65.22 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 118.077 -1.449 . . . . 0.02 112.535 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.37 84.55 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 111.369 -2.651 . . . . 0.01 110.604 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.4 -25.1 61.72 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 114.796 -2.762 . . . . 0.02 114.353 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -71.08 -44.99 64.6 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 115.033 -2.667 . . . . 0.02 113.485 178.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -65.26 -40.23 93.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 111.438 -2.619 . . . . 0.02 114.575 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -80.29 -46.74 15.66 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 111.577 -2.556 . . . . 0.01 111.049 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' 'CL ' ' A' ' 149' ' ' HLT . 23.1 mmt -55.34 -39.49 70.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.142 -1.423 . . . . 0.02 113.756 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.448 HG23 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -63.61 -58.69 6.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 C-N-CA 117.864 -1.534 . . . . 0.02 110.999 174.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -58.16 -33.05 68.79 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 123.994 1.854 . . . . 0.02 115.665 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.767 ' HG3' HG13 ' A' ' 55' ' ' VAL . 15.9 pt-20 -64.9 -25.88 68.08 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 113.564 -1.653 . . . . 0.01 114.328 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.767 HG13 ' HG3' ' A' ' 54' ' ' GLU . 33.5 m -118.1 16.24 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 125.287 1.617 . . . . 0.02 114.079 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.44 116.35 25.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 123.273 1.511 . . . . 0.02 110.731 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.19 -26.06 25.32 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 114.465 -2.894 . . . . 0.02 114.002 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -92.02 -14.62 29.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.374 1.671 . . . . 0.02 114.776 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.35 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 116.187 -2.911 . . . . 0.02 113.48 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -75.05 -32.61 61.59 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 115.554 1.687 . . . . 0.02 115.554 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.63 31.46 6.06 Favored Glycine 0 C--N 1.339 0.723 0 O-C-N 124.707 1.254 . . . . 0.02 115.777 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -152.84 161.03 43.07 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 126.144 1.732 . . . . 0.02 108.503 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG12 HG23 ' A' ' 52' ' ' ILE . 30.6 mm -125.05 136.27 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 115.09 -2.644 . . . . 0.02 111.345 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.553 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 18.3 p30 -110.89 179.35 4.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 123.914 1.816 . . . . 0.02 112.846 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.22 -50.97 84.45 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 117.813 2.523 . . . . 0.03 117.813 173.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 31.2 Cg_exo -47.89 -44.9 26.13 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 116.52 1.7 . . . . 0.02 116.52 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -69.28 -40.9 77.46 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.082 0.953 . . . . 0.02 109.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.546 ' CE1' ' HE2' ' A' ' 19' ' ' PHE . 90.1 t80 -56.64 -42.0 78.15 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 118.859 -1.136 . . . . 0.02 111.701 174.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -40.8 96.91 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.399 1.259 . . . . 0.02 114.399 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 117.125 -1.83 . . . . 0.18 113.377 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 1.245 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 0.0 OUTLIER -58.24 -42.07 85.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 125.048 2.356 . . . . 2.6 111.31 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mmm -59.97 -35.6 75.35 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 113.447 -1.706 . . . . 0.02 114.869 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.79 74.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 112.916 -1.947 . . . . 0.02 113.134 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -67.43 -29.56 69.07 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 113.495 -1.684 . . . . 0.02 114.895 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -69.91 84.74 0.5 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 115.634 1.716 . . . . 0.02 115.634 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 CA-C-N 114.66 -1.155 . . . . 20.0 111.616 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 149' ' ' HLT . . . . . 1.245 'BR ' ' CE ' ' A' ' 71' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.985 0 N-CA-C 106.515 -1.661 . . . . 1.25 106.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -82.62 -69.24 0.64 Allowed 'General case' 0 CA--C 1.498 -1.034 0 O-C-N 128.122 3.389 . . . . 2.99 110.958 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' HD22 ' A' ' 4' ' ' LEU . 80.3 mt-30 -76.42 -65.65 0.9 Allowed 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.365 -1.743 . . . . 0.03 110.126 170.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -157.12 177.44 11.48 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.209 -1.775 . . . . 0.02 106.209 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -52.52 154.09 2.74 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 125.483 1.739 . . . . 0.03 110.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -45.44 -28.84 0.97 Allowed 'General case' 0 C--O 1.222 -0.389 0 O-C-N 125.208 1.568 . . . . 0.03 114.812 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.01 -64.25 0.89 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.925 -1.488 . . . . 0.03 108.92 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.542 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.09 -46.57 79.01 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 116.323 1.971 . . . . 0.02 116.323 -179.55 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.3 mt -50.41 -48.98 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 113.973 -1.467 . . . . 0.03 112.999 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.43 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 113.741 -1.572 . . . . 0.02 112.826 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.542 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.29 -29.9 66.21 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.825 1.417 . . . . 0.03 114.825 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.1 m-85 -61.19 -41.95 97.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.904 -1.918 . . . . 0.02 112.403 169.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.06 -36.7 82.41 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 117.54 -1.664 . . . . 0.02 113.642 171.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.1 -43.49 95.54 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 116.668 -2.013 . . . . 0.03 113.558 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.13 69.61 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.199 -1.364 . . . . 0.03 113.279 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.19 -44.46 83.62 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.778 -2.01 . . . . 0.02 113.294 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 t -56.3 -37.06 69.37 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 122.979 1.371 . . . . 0.17 113.342 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.74 -24.99 59.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 113.805 -1.543 . . . . 0.03 113.098 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.9 m-30 -74.32 -55.72 5.69 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-N 113.75 -1.568 . . . . 0.02 111.241 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.34 73.37 3.91 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 127.224 2.827 . . . . 0.03 111.608 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -30.66 69.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 112.389 -2.187 . . . . 0.03 113.666 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -84.59 -20.89 30.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 111.772 -2.467 . . . . 0.03 112.558 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.93 25.36 74.99 Favored Glycine 0 C--N 1.348 1.237 0 C-N-CA 117.35 -2.357 . . . . 0.02 113.214 -174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.33 -3.87 35.97 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 114.775 1.398 . . . . 0.02 114.775 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.63 74.58 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 114.395 -1.275 . . . . 0.02 114.695 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -153.94 130.4 10.59 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 123.34 1.543 . . . . 0.02 110.833 -176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.0 mt -82.25 116.14 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 116.086 -2.246 . . . . 0.02 110.285 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -85.94 165.38 16.79 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 116.437 -2.105 . . . . 0.02 112.929 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.403 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 10.7 p -60.01 -42.66 94.77 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-O 130.594 4.997 . . . . 0.02 110.47 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.02 -44.3 94.68 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 109.426 -3.533 . . . . 0.03 113.12 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.5 mt-10 -56.24 -44.05 79.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 125.367 1.667 . . . . 0.02 111.824 174.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.89 -39.39 58.96 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 123.52 1.629 . . . . 0.02 112.56 173.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.27 -48.61 73.74 Favored Glycine 0 C--O 1.219 -0.794 0 C-N-CA 116.829 -2.605 . . . . 0.03 112.216 174.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 m -55.84 -43.7 77.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.055 -1.458 . . . . 0.02 114.792 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.673 HG22 ' CD1' ' A' ' 19' ' ' PHE . 72.7 t -52.8 -68.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 125.465 1.728 . . . . 0.02 112.628 175.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.967 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 33.2 mmt -55.99 -39.63 72.15 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 124.196 1.95 . . . . 0.02 112.763 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.27 -36.49 77.95 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 112.557 -2.111 . . . . 0.02 114.978 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -67.67 -35.15 78.32 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 123.052 1.406 . . . . 0.02 111.703 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.68 -1.0 14.62 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 111.967 -2.379 . . . . 0.03 113.368 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.36 55.79 1.53 Allowed Glycine 0 C--N 1.344 0.992 0 CA-C-N 113.957 -1.474 . . . . 0.02 112.63 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -146.28 176.57 9.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 119.02 -1.072 . . . . 0.02 109.102 -176.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -136.79 101.3 9.66 Favored Pre-proline 0 N--CA 1.471 0.596 0 C-N-CA 118.087 -1.445 . . . . 0.02 112.135 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 137.01 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 O-C-N 126.052 2.606 . . . . 0.02 112.065 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.513 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 m -74.82 171.49 13.89 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 113.599 -1.637 . . . . 0.02 109.696 174.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.1 -40.64 67.46 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 118.523 -1.271 . . . . 0.02 113.494 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.93 -46.16 71.45 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 127.228 2.83 . . . . 0.01 109.212 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.47 -23.9 67.6 Favored 'General case' 0 C--O 1.205 -1.264 0 C-N-CA 114.601 -2.84 . . . . 0.02 114.454 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.42 -48.81 38.26 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 113.93 -3.108 . . . . 0.02 112.679 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -47.91 83.94 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 110.834 -2.894 . . . . 0.02 112.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.16 -42.51 62.73 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.278 -2.237 . . . . 0.01 111.582 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -64.76 -31.95 73.42 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.684 -2.006 . . . . 0.02 114.267 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.598 HG23 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.14 -56.52 14.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.391 -1.724 . . . . 0.02 111.101 169.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -58.99 -31.83 69.13 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 123.792 1.758 . . . . 0.02 115.185 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.688 ' HG3' HG13 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.91 -24.65 66.88 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.201 -1.818 . . . . 0.01 114.345 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 54' ' ' GLU . 30.4 m -118.77 12.97 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 O-C-N 125.142 1.526 . . . . 0.02 113.923 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -85.07 118.16 24.47 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 123.003 1.382 . . . . 0.02 110.285 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.66 -24.38 20.5 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 114.421 -2.911 . . . . 0.02 113.532 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -92.98 -15.01 26.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 112.972 -1.922 . . . . 0.02 114.894 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 14.24 82.11 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 116.281 -2.866 . . . . 0.02 113.65 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -76.9 -33.64 57.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 115.017 1.488 . . . . 0.02 115.017 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.81 28.59 7.75 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 115.845 1.098 . . . . 0.02 115.845 -175.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -153.91 159.66 41.83 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 126.431 1.901 . . . . 0.02 108.305 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.598 HG12 HG23 ' A' ' 52' ' ' ILE . 17.0 mm -124.54 143.37 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 115.354 -2.539 . . . . 0.02 110.891 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 27.7 p-10 -112.33 -173.33 2.22 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 124.62 2.152 . . . . 0.02 113.569 173.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.258 39.3 t80 -59.36 -51.27 82.58 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 118.586 2.81 . . . . 0.03 118.586 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 52.3 Cg_exo -47.07 -51.48 9.3 Favored 'Trans proline' 0 C--N 1.366 1.48 0 N-CA-C 116.503 1.693 . . . . 0.02 116.503 174.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.24 -36.49 84.29 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.292 1.52 . . . . 0.02 111.321 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.79 -44.63 96.48 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 117.143 -1.823 . . . . 0.02 112.278 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.55 -40.65 95.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.857 -1.152 . . . . 0.02 112.989 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -61.39 -38.73 88.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 123.599 1.666 . . . . 0.18 112.76 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 1.089 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 0.7 OUTLIER -60.17 -42.53 95.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 113.006 -1.906 . . . . 2.6 112.169 172.551 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.494 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.71 -30.35 65.45 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 115.3 1.592 . . . . 0.02 115.3 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.44 81.5 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 117.495 -1.682 . . . . 0.02 113.187 171.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -22.34 64.95 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.293 -1.776 . . . . 0.02 115.711 174.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.63 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 1.6 tmpt? -64.43 94.35 0.11 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.927 -1.033 . . . . 0.02 112.711 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 C-N-CA 125.188 1.395 . . . . 20.0 110.795 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 149' ' ' HLT . . . . . 1.089 'BR ' ' CE ' ' A' ' 71' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 4' ' ' LEU . . . . . . . . 0 CA--C 1.503 -0.837 0 N-CA-C 105.494 -2.039 . . . . 1.25 105.494 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -68.71 0.69 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 126.391 2.307 . . . . 2.99 109.647 176.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.481 ' O ' HD22 ' A' ' 4' ' ' LEU . 97.8 mm-40 -75.25 -59.26 2.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 126.33 2.269 . . . . 0.03 109.764 170.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -148.81 -172.95 4.23 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 126.117 2.135 . . . . 0.02 108.205 178.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 p -60.98 157.85 14.61 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 117.157 -1.817 . . . . 0.03 110.838 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.29 -30.4 3.07 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 115.328 1.603 . . . . 0.03 115.328 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.03 -61.98 1.92 Allowed 'General case' 0 C--N 1.344 0.346 0 O-C-N 125.523 1.764 . . . . 0.03 110.915 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.467 HE21 ' HE1' ' A' ' 12' ' ' PHE . 52.6 tp60 -60.46 -46.44 90.07 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 116.642 -2.023 . . . . 0.02 114.714 -177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -50.53 -47.55 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 114.427 -1.26 . . . . 0.03 113.831 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -55.35 -51.03 68.11 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 113.874 -1.512 . . . . 0.02 112.006 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.43 -22.98 67.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 115.12 1.526 . . . . 0.03 115.12 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' HE1' HE21 ' A' ' 8' ' ' GLN . 16.2 m-30 -62.11 -36.56 82.12 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 116.903 -1.919 . . . . 0.02 111.454 170.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -59.43 -43.84 93.03 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 118.593 -1.243 . . . . 0.02 112.6 170.553 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.41 -36.65 80.92 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 124.137 1.923 . . . . 0.03 113.55 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.27 89.94 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.892 -1.504 . . . . 0.03 113.037 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -54.97 -47.28 74.77 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.381 -2.191 . . . . 0.02 111.013 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -54.55 -40.08 68.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 113.454 -1.703 . . . . 0.17 113.605 174.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.74 -39.7 71.5 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 117.266 -1.774 . . . . 0.03 114.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' HB2' HG12 ' A' ' 27' ' ' ILE . 38.5 m-85 -72.63 -63.54 1.14 Allowed 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 116.532 -2.067 . . . . 0.02 109.924 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -81.43 75.72 8.38 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 125.877 1.985 . . . . 0.03 113.193 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -21.88 65.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 117.136 -1.826 . . . . 0.03 114.538 -175.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.86 -21.14 34.43 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 112.12 -2.309 . . . . 0.03 112.907 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.35 27.5 71.44 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 117.199 -2.429 . . . . 0.02 114.054 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -75.48 -6.47 50.32 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.055 1.132 . . . . 0.02 114.055 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.09 20.53 77.42 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 125.105 1.503 . . . . 0.02 114.481 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -150.06 116.4 5.74 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 123.98 1.847 . . . . 0.02 111.166 -174.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 96.4 mt -83.21 114.72 24.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 113.145 -1.843 . . . . 0.02 109.66 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -82.44 165.87 19.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 124.302 2.001 . . . . 0.02 113.993 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.9 p -61.34 -43.81 98.24 Favored 'General case' 0 N--CA 1.467 0.412 1 CA-C-O 128.618 4.056 . . . . 0.02 111.695 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.664 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.47 -39.48 70.43 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 109.775 -3.375 . . . . 0.03 114.098 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.13 -41.06 90.99 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 111.84 -2.436 . . . . 0.02 113.421 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD21 'BR ' ' A' ' 149' ' ' HLT . 3.3 tm? -47.94 -49.87 28.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 124.578 2.132 . . . . 0.02 110.266 172.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.04 99.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 112.165 -2.289 . . . . 0.03 112.873 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -51.58 -54.37 28.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 114.487 1.291 . . . . 0.02 114.487 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.55 -45.71 66.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 C-N-CA 116.405 -2.118 . . . . 0.02 114.428 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.729 ' SD ' 'BR ' ' A' ' 149' ' ' HLT . 36.1 mmt -51.31 -37.84 49.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 115.932 -2.307 . . . . 0.02 113.31 174.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -44.49 94.63 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 112.48 -2.145 . . . . 0.02 115.158 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.0 p -58.53 -33.83 70.32 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.909 1.337 . . . . 0.02 113.504 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.29 -1.02 11.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 113.017 -1.901 . . . . 0.03 113.907 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.49 56.71 1.97 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 114.174 -1.376 . . . . 0.02 110.85 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -148.03 171.08 16.4 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 125.034 1.079 . . . . 0.02 109.429 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -132.46 101.8 14.36 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 118.13 -1.428 . . . . 0.02 113.044 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -82.87 135.56 7.76 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 O-C-N 125.838 2.494 . . . . 0.02 110.903 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 m -74.44 166.6 23.23 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 113.809 -1.541 . . . . 0.02 109.629 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.38 -40.92 62.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.57 -1.252 . . . . 0.02 113.348 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.85 71.4 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-N 111.082 -2.781 . . . . 0.01 110.327 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.79 -23.11 63.02 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 115.103 -2.639 . . . . 0.02 115.212 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 30' ' ' LYS . 7.1 mp -72.85 -45.93 55.67 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 114.133 -3.027 . . . . 0.02 112.374 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -41.81 98.88 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.515 -2.584 . . . . 0.02 114.319 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.52 -42.44 25.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.678 -2.056 . . . . 0.01 110.472 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.586 ' HB3' 'CL ' ' A' ' 149' ' ' HLT . 0.0 OUTLIER -59.71 -39.54 84.99 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 117.268 -1.773 . . . . 0.02 113.512 175.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.415 HG23 HG12 ' A' ' 63' ' ' ILE . 2.6 mt -64.33 -52.49 55.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 116.665 -2.014 . . . . 0.02 109.979 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -51.22 -35.18 35.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.676 2.102 . . . . 0.02 116.676 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG3' HG13 ' A' ' 55' ' ' VAL . 12.4 pt-20 -75.63 -24.06 56.43 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.055 -1.884 . . . . 0.01 113.75 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 51' ' ' MET . 19.6 m -119.47 15.01 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 O-C-N 125.258 1.599 . . . . 0.02 113.636 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -87.05 121.71 29.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.947 1.404 . . . . 0.02 110.741 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.49 -25.18 19.4 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 114.796 -2.762 . . . . 0.02 113.985 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -92.47 -13.52 29.81 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 113.374 -1.739 . . . . 0.02 114.791 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 10.47 84.62 Favored Glycine 0 C--N 1.347 1.194 0 C-N-CA 115.4 -3.286 . . . . 0.02 113.54 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -73.89 -32.8 63.76 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 115.297 1.591 . . . . 0.02 115.297 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 35.03 5.95 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 125.382 1.676 . . . . 0.02 114.772 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -155.14 161.98 41.1 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 127.324 2.426 . . . . 0.02 108.334 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 17.9 mm -127.7 132.18 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 117.109 -1.836 . . . . 0.02 112.667 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -109.47 176.32 5.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 124.439 2.066 . . . . 0.02 114.03 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.59 -51.83 78.21 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 117.58 2.437 . . . . 0.03 117.58 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -44.86 -46.48 12.79 Favored 'Trans proline' 0 C--N 1.369 1.615 0 N-CA-C 116.629 1.742 . . . . 0.02 116.629 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.26 -30.87 68.02 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 123.067 1.413 . . . . 0.02 113.204 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.02 -43.25 83.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.188 -1.369 . . . . 0.02 111.24 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.34 92.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.192 -1.822 . . . . 0.02 114.814 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.2 p -59.68 -41.03 89.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 123.272 1.51 . . . . 0.18 112.686 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.9 ttp -62.7 -43.12 99.62 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 124.409 2.052 . . . . 2.6 111.63 174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.8 mmt -58.27 -30.87 66.92 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 112.716 -2.038 . . . . 0.02 114.598 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.22 71.29 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 123.236 1.493 . . . . 0.02 114.283 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -70.92 -47.54 58.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.788 -2.005 . . . . 0.02 114.225 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.12 151.31 47.2 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.831 -1.986 . . . . 0.02 108.451 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.346 0.0 OUTLIER . . . . . 0 C--N 1.352 0.699 0 N-CA-C 116.113 1.894 . . . . 20.0 116.113 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 149' ' ' HLT . . . . . 0.729 'BR ' ' SD ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' LEU . . . . . . . . 0 CA--C 1.505 -0.755 0 N-CA-C 106.087 -1.82 . . . . 1.25 106.087 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.15 -67.25 0.85 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 111.103 -2.771 . . . . 2.99 109.313 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.498 ' O ' HD22 ' A' ' 4' ' ' LEU . 22.0 mp0 -77.34 -56.42 4.57 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 112.845 -1.979 . . . . 0.03 109.049 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 3' ' ' GLN . 0.4 OUTLIER -151.04 -173.8 4.6 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 126.179 2.174 . . . . 0.02 107.234 177.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -58.32 159.05 6.5 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 117.807 -1.557 . . . . 0.03 110.183 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -49.01 -30.56 6.22 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 124.706 1.254 . . . . 0.03 114.236 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -52.87 -64.39 0.83 Allowed 'General case' 0 C--N 1.347 0.492 0 O-C-N 125.089 1.493 . . . . 0.03 110.157 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.47 -47.36 73.06 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 117.319 -1.752 . . . . 0.02 115.195 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.63 -47.91 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.231 1.491 . . . . 0.03 113.373 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.98 69.01 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 112.943 -1.935 . . . . 0.02 111.547 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.02 -30.23 69.02 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 118.206 -1.397 . . . . 0.03 113.952 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -64.71 -31.19 72.31 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.52 -1.672 . . . . 0.02 112.602 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.38 -42.5 92.61 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 117.056 -1.858 . . . . 0.02 111.508 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.44 -35.36 79.02 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 124.232 1.968 . . . . 0.03 114.563 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -65.63 -36.27 83.21 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.284 -1.78 . . . . 0.03 112.495 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.91 -53.97 34.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 126.269 2.231 . . . . 0.02 111.568 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -53.29 -37.74 62.48 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 123.666 1.698 . . . . 0.17 114.15 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 15' ' ' ALA . 36.1 mt -60.4 -30.94 69.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 115.4 1.63 . . . . 0.03 115.4 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HB3' HG23 ' A' ' 27' ' ' ILE . 55.0 m-85 -74.82 -62.29 1.59 Allowed 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 114.222 -2.991 . . . . 0.02 110.127 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.81 78.75 5.25 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 126.869 2.606 . . . . 0.03 112.285 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HE3' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -65.53 -17.43 64.56 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.019 -1.9 . . . . 0.03 114.133 -174.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -102.32 -21.75 14.25 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 111.416 -2.629 . . . . 0.03 111.953 -174.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.9 27.65 60.16 Favored Glycine 0 C--N 1.347 1.192 0 C-N-CA 116.106 -2.949 . . . . 0.02 114.658 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 22' ' ' ASP . 30.9 p30 -75.98 -3.46 35.75 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.325 1.232 . . . . 0.02 114.325 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.08 25.13 75.65 Favored Glycine 0 C--N 1.337 0.604 0 O-C-N 124.568 1.167 . . . . 0.02 114.482 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -152.81 117.82 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 123.764 1.745 . . . . 0.02 110.985 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 19' ' ' PHE . 81.7 mt -85.85 115.66 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 111.733 -2.485 . . . . 0.02 110.425 173.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -82.63 163.57 21.33 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.901 1.334 . . . . 0.02 113.101 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 p -59.36 -43.01 92.89 Favored 'General case' 0 C--O 1.239 0.515 1 CA-C-O 128.802 4.144 . . . . 0.02 112.436 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.78 -44.0 90.56 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 109.026 -3.715 . . . . 0.03 112.818 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' HE3' ' A' ' 21' ' ' LYS . 68.8 mt-10 -57.16 -43.42 82.51 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.028 -1.896 . . . . 0.02 112.612 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -54.9 -45.82 74.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.629 1.681 . . . . 0.02 110.749 174.419 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 56.99 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 112.91 -1.95 . . . . 0.03 113.123 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -52.22 -47.24 65.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 118.234 -1.387 . . . . 0.02 113.948 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.02 -51.86 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 117.277 -1.769 . . . . 0.02 114.576 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.886 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 31.4 mmt -50.78 -43.66 58.61 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 116.696 -2.002 . . . . 0.02 114.114 174.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -44.19 93.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 112.676 -2.056 . . . . 0.02 115.425 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.6 p -64.72 -33.37 75.81 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 123.129 1.442 . . . . 0.02 113.086 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.82 -1.64 9.91 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 112.285 -2.234 . . . . 0.03 113.257 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.96 54.3 1.78 Allowed Glycine 0 C--N 1.341 0.839 0 C-N-CA 119.813 -1.184 . . . . 0.02 111.351 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -146.9 174.21 11.71 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.005 -1.097 . . . . 0.02 108.541 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -137.2 101.25 9.29 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 117.654 -1.619 . . . . 0.02 112.918 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -84.37 139.17 7.88 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 O-C-N 125.607 2.372 . . . . 0.02 111.101 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.62 165.94 23.73 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 113.849 -1.523 . . . . 0.02 110.52 172.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.24 -43.98 61.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.866 -1.134 . . . . 0.02 113.028 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.69 69.66 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 127.228 2.83 . . . . 0.01 110.421 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -57.9 -29.27 64.95 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 114.83 -2.748 . . . . 0.02 114.606 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -44.16 80.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 114.128 -3.029 . . . . 0.02 113.807 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -46.79 73.18 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 111.04 -2.8 . . . . 0.02 113.221 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -72.15 -38.24 69.24 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.254 -2.248 . . . . 0.01 111.43 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -65.6 -36.19 83.0 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.125 -1.43 . . . . 0.02 113.714 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 63' ' ' ILE . 2.1 mt -66.31 -54.39 26.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 117.836 -1.546 . . . . 0.02 110.395 172.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.36 -28.61 69.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 113.187 -1.824 . . . . 0.02 115.383 -173.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.547 ' HG3' HG13 ' A' ' 55' ' ' VAL . 16.6 pt-20 -66.38 -28.93 69.02 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.15 -1.82 . . . . 0.01 113.726 176.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 54' ' ' GLU . 23.9 m -113.21 14.89 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 113.016 -1.902 . . . . 0.02 113.802 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -86.69 121.24 28.92 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 123.474 1.607 . . . . 0.02 111.231 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.94 -25.18 21.05 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 113.873 -3.131 . . . . 0.02 114.31 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -93.1 -15.39 26.12 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 125.335 1.647 . . . . 0.02 114.594 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.82 10.85 85.95 Favored Glycine 0 C--N 1.345 1.039 0 C-N-CA 115.813 -3.089 . . . . 0.02 113.61 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -73.73 -31.36 63.33 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.986 1.847 . . . . 0.02 115.986 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 125.674 1.858 . . . . 0.02 115.534 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.67 160.67 38.23 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 126.472 1.925 . . . . 0.02 109.012 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG12 HG23 ' A' ' 52' ' ' ILE . 18.1 mm -123.48 140.53 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 115.301 -2.56 . . . . 0.02 110.439 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.537 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 25.5 p30 -112.21 -176.63 2.97 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.818 1.294 . . . . 0.02 112.465 174.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.5 -48.56 96.71 Favored Pre-proline 0 N--CA 1.478 0.967 0 N-CA-C 119.343 3.09 . . . . 0.03 119.343 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 41.7 Cg_exo -47.84 -49.15 14.28 Favored 'Trans proline' 0 C--N 1.37 1.673 0 N-CA-C 116.5 1.692 . . . . 0.02 116.5 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.23 -34.42 72.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 125.808 1.643 . . . . 0.02 110.816 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 58.4 t80 -63.04 -41.84 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 123.456 1.598 . . . . 0.02 111.149 174.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.16 -38.57 85.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 117.293 -1.763 . . . . 0.02 113.822 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.9 p -60.17 -44.16 95.25 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 118.271 -1.372 . . . . 0.18 112.2 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ttt -56.55 -43.45 79.95 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 125.686 2.66 . . . . 2.6 111.987 172.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -63.69 -25.07 68.04 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.138 -1.846 . . . . 0.02 114.818 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.35 73.61 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 116.908 -1.917 . . . . 0.02 112.629 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -67.92 -10.95 57.45 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.962 1.838 . . . . 0.02 115.962 171.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -67.55 90.71 0.26 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 118.966 -1.094 . . . . 0.02 112.599 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.501 0 O-C-N 125.591 1.807 . . . . 20.0 111.781 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 149' ' ' HLT . . . . . 0.886 'BR ' ' CE ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.991 0 N-CA-C 106.486 -1.672 . . . . 1.25 106.486 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.61 -69.26 0.64 Allowed 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 128.029 3.331 . . . . 2.99 110.954 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.466 ' O ' HD22 ' A' ' 4' ' ' LEU . 80.4 mt-30 -76.48 -65.6 0.91 Allowed 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.342 -1.754 . . . . 0.03 110.124 170.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -157.13 177.49 11.43 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.243 -1.762 . . . . 0.02 106.243 -179.574 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.4 p -52.59 154.14 2.77 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 125.508 1.755 . . . . 0.03 110.229 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -45.57 -28.69 1.0 Allowed 'General case' 0 C--O 1.223 -0.339 0 O-C-N 125.218 1.574 . . . . 0.03 114.748 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.18 -64.21 0.91 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.818 -1.537 . . . . 0.03 108.877 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.0 -46.66 78.67 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 116.328 1.973 . . . . 0.02 116.328 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mt -50.4 -48.93 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 113.885 -1.507 . . . . 0.03 113.013 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -49.42 74.1 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 113.728 -1.578 . . . . 0.02 112.785 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.21 -30.06 66.17 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.771 1.397 . . . . 0.03 114.771 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.0 m-85 -61.11 -41.9 97.54 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.84 -1.944 . . . . 0.02 112.423 169.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.08 -36.7 82.47 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 117.522 -1.671 . . . . 0.02 113.605 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.18 -43.34 95.94 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 116.675 -2.01 . . . . 0.03 113.572 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.07 69.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.187 -1.37 . . . . 0.03 113.235 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.29 -44.41 84.03 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 112.728 -2.033 . . . . 0.02 113.323 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -56.3 -37.18 69.54 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.812 1.291 . . . . 0.17 113.295 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.6 -25.04 60.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.834 -1.53 . . . . 0.03 113.087 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.8 m-30 -74.24 -55.72 5.72 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 113.752 -1.567 . . . . 0.02 111.246 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.32 73.3 3.89 Favored 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 127.167 2.792 . . . . 0.03 111.551 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -30.78 69.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 112.327 -2.215 . . . . 0.03 113.62 -171.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -84.53 -20.79 31.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 111.754 -2.476 . . . . 0.03 112.541 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.83 25.3 75.22 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 117.32 -2.372 . . . . 0.02 113.261 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.42 -3.9 36.45 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 114.764 1.394 . . . . 0.02 114.764 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 21.28 73.69 Favored Glycine 0 C--O 1.227 -0.305 0 CA-C-N 114.373 -1.285 . . . . 0.02 114.923 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -156.27 120.29 4.43 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 124.063 1.887 . . . . 0.02 114.121 -174.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.89 116.89 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 115.083 -2.647 . . . . 0.02 111.239 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 p -87.97 165.41 15.23 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 122.746 1.26 . . . . 0.02 110.727 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -60.47 -42.12 95.59 Favored 'General case' 0 CA--C 1.543 0.692 1 CA-C-O 130.245 4.831 . . . . 0.02 110.224 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.16 -44.56 94.92 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 109.284 -3.598 . . . . 0.03 113.14 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.3 mt-10 -56.19 -43.97 78.96 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 125.251 1.594 . . . . 0.02 111.828 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.94 -39.4 59.15 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.454 1.597 . . . . 0.02 112.575 173.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.31 -48.57 74.27 Favored Glycine 0 C--O 1.219 -0.788 0 C-N-CA 116.807 -2.616 . . . . 0.03 112.135 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -55.81 -43.73 77.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 117.933 -1.507 . . . . 0.02 114.779 172.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.674 HG22 ' CD1' ' A' ' 19' ' ' PHE . 71.9 t -52.87 -68.27 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 125.36 1.662 . . . . 0.02 112.614 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 1.096 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 33.2 mmt -55.94 -39.62 71.97 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 124.126 1.917 . . . . 0.02 112.716 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.32 -36.48 78.03 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.468 -2.151 . . . . 0.02 114.977 174.638 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -67.65 -35.13 78.31 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.937 1.351 . . . . 0.02 111.726 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.72 -0.96 14.62 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 111.926 -2.397 . . . . 0.03 113.367 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.35 55.88 1.52 Allowed Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.016 -1.447 . . . . 0.02 112.6 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -146.44 176.46 9.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 118.945 -1.102 . . . . 0.02 109.017 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.73 101.37 9.7 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 118.089 -1.445 . . . . 0.02 112.174 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -85.76 137.02 5.46 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 O-C-N 125.691 2.416 . . . . 0.02 112.135 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.51 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 10.7 m -74.66 171.39 13.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.691 -1.595 . . . . 0.02 109.8 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.0 -40.68 67.18 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 118.405 -1.318 . . . . 0.02 113.592 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.25 71.3 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 127.099 2.749 . . . . 0.01 109.261 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.46 -23.94 67.61 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 114.55 -2.86 . . . . 0.02 114.344 -175.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.38 -48.81 38.69 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 113.665 -3.214 . . . . 0.02 112.8 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -47.68 85.01 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 110.853 -2.885 . . . . 0.02 112.941 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.32 -42.48 62.28 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 112.312 -2.222 . . . . 0.01 111.539 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.461 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -64.65 -32.12 73.65 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 116.703 -1.999 . . . . 0.02 114.313 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.598 HG23 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.09 -56.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.441 -1.703 . . . . 0.02 111.101 169.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -59.06 -31.76 69.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 123.768 1.746 . . . . 0.02 115.163 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.687 ' HG3' HG13 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.92 -24.63 66.87 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 113.094 -1.866 . . . . 0.01 114.359 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.687 HG13 ' HG3' ' A' ' 54' ' ' GLU . 29.8 m -118.77 12.91 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 125.137 1.523 . . . . 0.02 113.931 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.86 117.99 24.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 122.796 1.284 . . . . 0.02 110.332 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.54 -24.35 20.64 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 114.429 -2.908 . . . . 0.02 113.516 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -92.99 -15.04 26.65 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 113.025 -1.898 . . . . 0.02 114.904 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.68 13.84 82.64 Favored Glycine 0 C--N 1.348 1.233 0 C-N-CA 116.303 -2.856 . . . . 0.02 113.575 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -76.83 -33.18 57.96 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.918 1.451 . . . . 0.02 114.918 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.45 28.68 7.87 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 119.801 -1.19 . . . . 0.02 115.808 -175.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -153.95 159.67 41.78 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 126.428 1.899 . . . . 0.02 108.402 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.598 HG12 HG23 ' A' ' 52' ' ' ILE . 16.9 mm -124.68 143.21 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 115.42 -2.512 . . . . 0.02 110.93 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.601 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 28.3 p30 -112.25 -173.27 2.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 124.567 2.127 . . . . 0.02 113.54 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.257 39.1 t80 -59.36 -51.25 82.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 118.578 2.806 . . . . 0.03 118.578 172.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.601 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 51.3 Cg_exo -47.17 -51.33 9.59 Favored 'Trans proline' 0 C--N 1.368 1.596 0 N-CA-C 116.49 1.688 . . . . 0.02 116.49 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.34 -36.45 84.06 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 123.289 1.519 . . . . 0.02 111.316 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.82 -44.55 96.63 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 117.058 -1.857 . . . . 0.02 112.307 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.57 -40.66 95.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 118.691 -1.204 . . . . 0.02 112.996 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -61.34 -38.66 87.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 123.582 1.658 . . . . 0.18 112.774 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.952 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 0.7 OUTLIER -60.31 -42.48 95.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 112.98 -1.918 . . . . 2.6 112.104 172.617 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.73 -30.3 65.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 113.637 -1.619 . . . . 0.02 115.284 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.45 81.53 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 117.377 -1.729 . . . . 0.02 113.169 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -22.39 64.93 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 113.307 -1.77 . . . . 0.02 115.619 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.629 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 1.6 tmpt? -64.38 94.48 0.11 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.104 -1.039 . . . . 0.02 112.769 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 125.186 1.394 . . . . 20.0 110.77 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 149' ' ' HLT . . . . . 1.096 'BR ' ' CE ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.508 -0.642 0 N-CA-C 107.172 -1.418 . . . . 0.02 107.172 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -59.33 158.84 8.65 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 118.055 -1.458 . . . . 0.03 110.36 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -29.48 2.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 125.661 1.851 . . . . 0.03 114.629 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.83 -64.88 0.69 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 125.206 1.566 . . . . 0.03 111.007 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 26.5 tp60 -57.79 -44.13 86.06 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 116.039 -2.264 . . . . 0.02 115.16 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -53.26 -48.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 113.578 -1.646 . . . . 0.03 113.822 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -49.67 74.05 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 113.844 -1.525 . . . . 0.02 111.019 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.1 mp0 -56.82 -36.81 70.38 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.032 -1.467 . . . . 0.03 113.82 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.58 -33.86 74.6 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 117.681 -1.608 . . . . 0.02 113.853 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -64.14 -43.38 95.4 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 113.637 -1.62 . . . . 0.02 111.455 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.99 -38.9 90.32 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 117.403 -1.719 . . . . 0.03 113.195 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.24 77.46 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.933 -1.031 . . . . 0.03 112.105 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.74 -46.91 87.69 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 126.613 2.445 . . . . 0.02 112.057 174.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 t -56.24 -45.61 79.9 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 123.635 1.683 . . . . 0.17 113.219 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 123.91 1.814 . . . . 0.03 114.994 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 18.5 m-30 -78.8 -57.07 3.94 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 112.259 -2.246 . . . . 0.02 112.215 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.69 73.31 5.84 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 128.189 3.43 . . . . 0.03 111.679 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -63.25 -24.1 67.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 109.636 -3.438 . . . . 0.03 115.312 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.88 -22.22 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 112.378 -2.192 . . . . 0.03 112.284 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 31.05 72.66 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 112.922 -1.945 . . . . 0.02 114.153 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -77.84 -2.88 38.78 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 115.134 1.531 . . . . 0.02 115.134 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.54 18.15 79.31 Favored Glycine 0 CA--C 1.524 0.649 0 O-C-N 124.75 1.281 . . . . 0.02 115.666 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -151.0 116.07 5.29 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.246 1.974 . . . . 0.02 111.306 -172.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.0 mt -82.08 117.95 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 CA-C-N 112.736 -2.029 . . . . 0.02 110.27 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -86.63 170.13 12.1 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 115.261 -2.576 . . . . 0.02 114.183 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -63.02 -41.9 99.65 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-O 129.615 4.531 . . . . 0.02 112.952 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 7.8 tptm -61.78 -42.66 99.28 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.633 -3.439 . . . . 0.03 111.579 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.2 mt-10 -57.34 -38.55 74.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.201 -2.727 . . . . 0.02 112.492 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 tm? -52.8 -38.27 60.96 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 125.746 1.904 . . . . 0.02 111.292 175.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -53.94 -53.46 36.67 Favored Glycine 0 C--N 1.343 0.951 0 C-N-CA 118.134 -1.984 . . . . 0.03 112.079 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.7 m -54.14 -45.79 72.08 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.007 -1.596 . . . . 0.02 114.127 173.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.8 t -51.69 -69.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 127.241 2.217 . . . . 0.02 113.076 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 29.5 mmt -59.12 -38.29 79.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 125.024 2.345 . . . . 0.02 112.188 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.36 -30.22 71.39 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 112.655 -2.066 . . . . 0.02 115.191 175.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.7 p -75.45 -29.25 59.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 117.642 -1.623 . . . . 0.02 111.64 -174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.62 -2.2 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 113.16 -1.836 . . . . 0.03 112.553 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.96 66.16 1.32 Allowed Glycine 0 C--O 1.218 -0.887 0 CA-C-N 113.246 -1.797 . . . . 0.02 110.674 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -152.72 170.8 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.587 -1.264 . . . . 0.02 107.587 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -132.83 101.35 14.07 Favored Pre-proline 0 CA--C 1.504 -0.796 0 C-N-CA 117.977 -1.489 . . . . 0.02 111.586 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -85.3 150.97 10.58 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 O-C-N 127.978 3.62 . . . . 0.02 112.132 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 48' ' ' LEU . 98.0 m -86.0 164.55 17.31 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 113.541 -1.663 . . . . 0.02 109.627 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.38 -40.7 65.22 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 118.077 -1.449 . . . . 0.02 112.535 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.37 84.55 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 111.369 -2.651 . . . . 0.01 110.604 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.4 -25.1 61.72 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 114.796 -2.762 . . . . 0.02 114.353 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -71.08 -44.99 64.6 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 115.033 -2.667 . . . . 0.02 113.485 178.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -65.26 -40.23 93.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 111.438 -2.619 . . . . 0.02 114.575 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -80.29 -46.74 15.66 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 111.577 -2.556 . . . . 0.01 111.049 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.567 ' O ' HG22 ' A' ' 55' ' ' VAL . 23.1 mmt -55.34 -39.49 70.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.142 -1.423 . . . . 0.02 113.756 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.448 HG23 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -63.61 -58.69 6.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 C-N-CA 117.864 -1.534 . . . . 0.02 110.999 174.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -58.16 -33.05 68.79 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 123.994 1.854 . . . . 0.02 115.665 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.767 ' HG3' HG13 ' A' ' 55' ' ' VAL . 15.9 pt-20 -64.9 -25.88 68.08 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 113.564 -1.653 . . . . 0.01 114.328 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.767 HG13 ' HG3' ' A' ' 54' ' ' GLU . 33.5 m -118.1 16.24 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 125.287 1.617 . . . . 0.02 114.079 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.44 116.35 25.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 123.273 1.511 . . . . 0.02 110.731 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.19 -26.06 25.32 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 114.465 -2.894 . . . . 0.02 114.002 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -92.02 -14.62 29.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.374 1.671 . . . . 0.02 114.776 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.35 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 116.187 -2.911 . . . . 0.02 113.48 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -75.05 -32.61 61.59 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 115.554 1.687 . . . . 0.02 115.554 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.63 31.46 6.06 Favored Glycine 0 C--N 1.339 0.723 0 O-C-N 124.707 1.254 . . . . 0.02 115.777 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -152.84 161.03 43.07 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 126.144 1.732 . . . . 0.02 108.503 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG12 HG23 ' A' ' 52' ' ' ILE . 30.6 mm -125.05 136.27 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 115.09 -2.644 . . . . 0.02 111.345 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.553 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 18.3 p30 -110.89 179.35 4.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 123.914 1.816 . . . . 0.02 112.846 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.22 -50.97 84.45 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 117.813 2.523 . . . . 0.03 117.813 173.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 31.2 Cg_exo -47.89 -44.9 26.13 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 116.52 1.7 . . . . 0.02 116.52 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -69.28 -40.9 77.46 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.082 0.953 . . . . 0.02 109.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.546 ' CE1' ' HE2' ' A' ' 19' ' ' PHE . 90.1 t80 -56.64 -42.0 78.15 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 118.859 -1.136 . . . . 0.02 111.701 174.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -40.8 96.91 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.399 1.259 . . . . 0.02 114.399 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 117.125 -1.83 . . . . 0.18 113.377 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -58.24 -42.07 85.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 125.048 2.356 . . . . 2.6 111.31 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mmm -59.97 -35.6 75.35 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 113.447 -1.706 . . . . 0.02 114.869 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.41 0 CA-C-N 112.916 -1.947 . . . . 0.02 113.134 172.4 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.503 -0.841 0 N-CA-C 106.209 -1.775 . . . . 0.02 106.209 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -52.52 154.09 2.74 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 125.483 1.739 . . . . 0.03 110.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -45.44 -28.84 0.97 Allowed 'General case' 0 C--O 1.222 -0.389 0 O-C-N 125.208 1.568 . . . . 0.03 114.812 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.01 -64.25 0.89 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.925 -1.488 . . . . 0.03 108.92 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.542 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.09 -46.57 79.01 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 116.323 1.971 . . . . 0.02 116.323 -179.55 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.3 mt -50.41 -48.98 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 113.973 -1.467 . . . . 0.03 112.999 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.43 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 113.741 -1.572 . . . . 0.02 112.826 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.542 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.29 -29.9 66.21 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.825 1.417 . . . . 0.03 114.825 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.1 m-85 -61.19 -41.95 97.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.904 -1.918 . . . . 0.02 112.403 169.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.06 -36.7 82.41 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 117.54 -1.664 . . . . 0.02 113.642 171.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.1 -43.49 95.54 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 116.668 -2.013 . . . . 0.03 113.558 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.13 69.61 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.199 -1.364 . . . . 0.03 113.279 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.19 -44.46 83.62 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.778 -2.01 . . . . 0.02 113.294 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 t -56.3 -37.06 69.37 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 122.979 1.371 . . . . 0.17 113.342 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.74 -24.99 59.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 113.805 -1.543 . . . . 0.03 113.098 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.9 m-30 -74.32 -55.72 5.69 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-N 113.75 -1.568 . . . . 0.02 111.241 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.34 73.37 3.91 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 127.224 2.827 . . . . 0.03 111.608 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -30.66 69.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 112.389 -2.187 . . . . 0.03 113.666 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -84.59 -20.89 30.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 111.772 -2.467 . . . . 0.03 112.558 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.93 25.36 74.99 Favored Glycine 0 C--N 1.348 1.237 0 C-N-CA 117.35 -2.357 . . . . 0.02 113.214 -174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.33 -3.87 35.97 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 114.775 1.398 . . . . 0.02 114.775 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.63 74.58 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 114.395 -1.275 . . . . 0.02 114.695 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -153.94 130.4 10.59 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 123.34 1.543 . . . . 0.02 110.833 -176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.0 mt -82.25 116.14 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 116.086 -2.246 . . . . 0.02 110.285 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -85.94 165.38 16.79 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 116.437 -2.105 . . . . 0.02 112.929 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.403 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 10.7 p -60.01 -42.66 94.77 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-O 130.594 4.997 . . . . 0.02 110.47 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.02 -44.3 94.68 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 109.426 -3.533 . . . . 0.03 113.12 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.5 mt-10 -56.24 -44.05 79.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 125.367 1.667 . . . . 0.02 111.824 174.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.89 -39.39 58.96 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 123.52 1.629 . . . . 0.02 112.56 173.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.27 -48.61 73.74 Favored Glycine 0 C--O 1.219 -0.794 0 C-N-CA 116.829 -2.605 . . . . 0.03 112.216 174.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 m -55.84 -43.7 77.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.055 -1.458 . . . . 0.02 114.792 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.673 HG22 ' CD1' ' A' ' 19' ' ' PHE . 72.7 t -52.8 -68.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 125.465 1.728 . . . . 0.02 112.628 175.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.2 mmt -55.99 -39.63 72.15 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 124.196 1.95 . . . . 0.02 112.763 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.27 -36.49 77.95 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 112.557 -2.111 . . . . 0.02 114.978 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -67.67 -35.15 78.32 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 123.052 1.406 . . . . 0.02 111.703 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.68 -1.0 14.62 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 111.967 -2.379 . . . . 0.03 113.368 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.36 55.79 1.53 Allowed Glycine 0 C--N 1.344 0.992 0 CA-C-N 113.957 -1.474 . . . . 0.02 112.63 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -146.28 176.57 9.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 119.02 -1.072 . . . . 0.02 109.102 -176.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -136.79 101.3 9.66 Favored Pre-proline 0 N--CA 1.471 0.596 0 C-N-CA 118.087 -1.445 . . . . 0.02 112.135 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 137.01 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 O-C-N 126.052 2.606 . . . . 0.02 112.065 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.513 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 m -74.82 171.49 13.89 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 113.599 -1.637 . . . . 0.02 109.696 174.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.1 -40.64 67.46 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 118.523 -1.271 . . . . 0.02 113.494 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.93 -46.16 71.45 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 127.228 2.83 . . . . 0.01 109.212 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.47 -23.9 67.6 Favored 'General case' 0 C--O 1.205 -1.264 0 C-N-CA 114.601 -2.84 . . . . 0.02 114.454 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.42 -48.81 38.26 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 113.93 -3.108 . . . . 0.02 112.679 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -47.91 83.94 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 110.834 -2.894 . . . . 0.02 112.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.16 -42.51 62.73 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.278 -2.237 . . . . 0.01 111.582 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -64.76 -31.95 73.42 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.684 -2.006 . . . . 0.02 114.267 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.598 HG23 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.14 -56.52 14.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.391 -1.724 . . . . 0.02 111.101 169.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -58.99 -31.83 69.13 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 123.792 1.758 . . . . 0.02 115.185 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.688 ' HG3' HG13 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.91 -24.65 66.88 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.201 -1.818 . . . . 0.01 114.345 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 54' ' ' GLU . 30.4 m -118.77 12.97 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 O-C-N 125.142 1.526 . . . . 0.02 113.923 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -85.07 118.16 24.47 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 123.003 1.382 . . . . 0.02 110.285 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.66 -24.38 20.5 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 114.421 -2.911 . . . . 0.02 113.532 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -92.98 -15.01 26.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 112.972 -1.922 . . . . 0.02 114.894 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 14.24 82.11 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 116.281 -2.866 . . . . 0.02 113.65 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -76.9 -33.64 57.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 115.017 1.488 . . . . 0.02 115.017 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.81 28.59 7.75 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 115.845 1.098 . . . . 0.02 115.845 -175.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -153.91 159.66 41.83 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 126.431 1.901 . . . . 0.02 108.305 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.598 HG12 HG23 ' A' ' 52' ' ' ILE . 17.0 mm -124.54 143.37 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 115.354 -2.539 . . . . 0.02 110.891 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 27.7 p-10 -112.33 -173.33 2.22 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 124.62 2.152 . . . . 0.02 113.569 173.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.258 39.3 t80 -59.36 -51.27 82.58 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 118.586 2.81 . . . . 0.03 118.586 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 52.3 Cg_exo -47.07 -51.48 9.3 Favored 'Trans proline' 0 C--N 1.366 1.48 0 N-CA-C 116.503 1.693 . . . . 0.02 116.503 174.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.24 -36.49 84.29 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.292 1.52 . . . . 0.02 111.321 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.79 -44.63 96.48 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 117.143 -1.823 . . . . 0.02 112.278 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.55 -40.65 95.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.857 -1.152 . . . . 0.02 112.989 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -61.39 -38.73 88.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 123.599 1.666 . . . . 0.18 112.76 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -42.53 95.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 113.006 -1.906 . . . . 2.6 112.169 172.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.494 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.71 -30.35 65.45 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 115.3 1.592 . . . . 0.02 115.3 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 117.495 -1.682 . . . . 0.02 113.187 171.73 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 108.205 -1.035 . . . . 0.02 108.205 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 p -60.98 157.85 14.61 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 117.157 -1.817 . . . . 0.03 110.838 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.29 -30.4 3.07 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 115.328 1.603 . . . . 0.03 115.328 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.03 -61.98 1.92 Allowed 'General case' 0 C--N 1.344 0.346 0 O-C-N 125.523 1.764 . . . . 0.03 110.915 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -60.46 -46.44 90.07 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 116.642 -2.023 . . . . 0.02 114.714 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -50.53 -47.55 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 114.427 -1.26 . . . . 0.03 113.831 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -55.35 -51.03 68.11 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 113.874 -1.512 . . . . 0.02 112.006 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.43 -22.98 67.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 115.12 1.526 . . . . 0.03 115.12 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -62.11 -36.56 82.12 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 116.903 -1.919 . . . . 0.02 111.454 170.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -59.43 -43.84 93.03 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 118.593 -1.243 . . . . 0.02 112.6 170.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.41 -36.65 80.92 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 124.137 1.923 . . . . 0.03 113.55 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.27 89.94 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.892 -1.504 . . . . 0.03 113.037 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -54.97 -47.28 74.77 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.381 -2.191 . . . . 0.02 111.013 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -54.55 -40.08 68.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 113.454 -1.703 . . . . 0.17 113.605 174.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.74 -39.7 71.5 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 117.266 -1.774 . . . . 0.03 114.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' HB2' HG12 ' A' ' 27' ' ' ILE . 38.5 m-85 -72.63 -63.54 1.14 Allowed 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 116.532 -2.067 . . . . 0.02 109.924 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -81.43 75.72 8.38 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 125.877 1.985 . . . . 0.03 113.193 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -21.88 65.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 117.136 -1.826 . . . . 0.03 114.538 -175.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.86 -21.14 34.43 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 112.12 -2.309 . . . . 0.03 112.907 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.35 27.5 71.44 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 117.199 -2.429 . . . . 0.02 114.054 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -75.48 -6.47 50.32 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.055 1.132 . . . . 0.02 114.055 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.09 20.53 77.42 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 125.105 1.503 . . . . 0.02 114.481 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -150.06 116.4 5.74 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 123.98 1.847 . . . . 0.02 111.166 -174.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 96.4 mt -83.21 114.72 24.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 113.145 -1.843 . . . . 0.02 109.66 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -82.44 165.87 19.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 124.302 2.001 . . . . 0.02 113.993 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.9 p -61.34 -43.81 98.24 Favored 'General case' 0 N--CA 1.467 0.412 1 CA-C-O 128.618 4.056 . . . . 0.02 111.695 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.664 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.47 -39.48 70.43 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 109.775 -3.375 . . . . 0.03 114.098 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.13 -41.06 90.99 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 111.84 -2.436 . . . . 0.02 113.421 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -47.94 -49.87 28.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 124.578 2.132 . . . . 0.02 110.266 172.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.04 99.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 112.165 -2.289 . . . . 0.03 112.873 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -51.58 -54.37 28.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 114.487 1.291 . . . . 0.02 114.487 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.55 -45.71 66.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 C-N-CA 116.405 -2.118 . . . . 0.02 114.428 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.1 mmt -51.31 -37.84 49.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 115.932 -2.307 . . . . 0.02 113.31 174.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -44.49 94.63 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 112.48 -2.145 . . . . 0.02 115.158 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.0 p -58.53 -33.83 70.32 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.909 1.337 . . . . 0.02 113.504 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.29 -1.02 11.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 113.017 -1.901 . . . . 0.03 113.907 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.49 56.71 1.97 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 114.174 -1.376 . . . . 0.02 110.85 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -148.03 171.08 16.4 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 125.034 1.079 . . . . 0.02 109.429 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -132.46 101.8 14.36 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 118.13 -1.428 . . . . 0.02 113.044 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -82.87 135.56 7.76 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 O-C-N 125.838 2.494 . . . . 0.02 110.903 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 m -74.44 166.6 23.23 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 113.809 -1.541 . . . . 0.02 109.629 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.38 -40.92 62.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.57 -1.252 . . . . 0.02 113.348 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.85 71.4 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-N 111.082 -2.781 . . . . 0.01 110.327 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.79 -23.11 63.02 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 115.103 -2.639 . . . . 0.02 115.212 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 30' ' ' LYS . 7.1 mp -72.85 -45.93 55.67 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 114.133 -3.027 . . . . 0.02 112.374 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -41.81 98.88 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.515 -2.584 . . . . 0.02 114.319 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.52 -42.44 25.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.678 -2.056 . . . . 0.01 110.472 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.523 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -59.71 -39.54 84.99 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 117.268 -1.773 . . . . 0.02 113.512 175.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.415 HG23 HG12 ' A' ' 63' ' ' ILE . 2.6 mt -64.33 -52.49 55.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 116.665 -2.014 . . . . 0.02 109.979 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -51.22 -35.18 35.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.676 2.102 . . . . 0.02 116.676 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG3' HG13 ' A' ' 55' ' ' VAL . 12.4 pt-20 -75.63 -24.06 56.43 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.055 -1.884 . . . . 0.01 113.75 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 51' ' ' MET . 19.6 m -119.47 15.01 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 O-C-N 125.258 1.599 . . . . 0.02 113.636 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -87.05 121.71 29.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.947 1.404 . . . . 0.02 110.741 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.49 -25.18 19.4 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 114.796 -2.762 . . . . 0.02 113.985 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -92.47 -13.52 29.81 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 113.374 -1.739 . . . . 0.02 114.791 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 10.47 84.62 Favored Glycine 0 C--N 1.347 1.194 0 C-N-CA 115.4 -3.286 . . . . 0.02 113.54 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -73.89 -32.8 63.76 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 115.297 1.591 . . . . 0.02 115.297 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 35.03 5.95 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 125.382 1.676 . . . . 0.02 114.772 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -155.14 161.98 41.1 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 127.324 2.426 . . . . 0.02 108.334 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 17.9 mm -127.7 132.18 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 117.109 -1.836 . . . . 0.02 112.667 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -109.47 176.32 5.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 124.439 2.066 . . . . 0.02 114.03 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.59 -51.83 78.21 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 117.58 2.437 . . . . 0.03 117.58 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -44.86 -46.48 12.79 Favored 'Trans proline' 0 C--N 1.369 1.615 0 N-CA-C 116.629 1.742 . . . . 0.02 116.629 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.26 -30.87 68.02 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 123.067 1.413 . . . . 0.02 113.204 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.02 -43.25 83.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.188 -1.369 . . . . 0.02 111.24 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.34 92.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.192 -1.822 . . . . 0.02 114.814 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.2 p -59.68 -41.03 89.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 123.272 1.51 . . . . 0.18 112.686 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.9 ttp -62.7 -43.12 99.62 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 124.409 2.052 . . . . 2.6 111.63 174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.8 mmt -58.27 -30.87 66.92 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 112.716 -2.038 . . . . 0.02 114.598 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.336 0 CA-C-O 123.236 1.493 . . . . 0.02 114.283 174.241 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 N-CA-C 107.234 -1.395 . . . . 0.02 107.234 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -58.32 159.05 6.5 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 117.807 -1.557 . . . . 0.03 110.183 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -49.01 -30.56 6.22 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 124.706 1.254 . . . . 0.03 114.236 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -52.87 -64.39 0.83 Allowed 'General case' 0 C--N 1.347 0.492 0 O-C-N 125.089 1.493 . . . . 0.03 110.157 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.47 -47.36 73.06 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 117.319 -1.752 . . . . 0.02 115.195 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.63 -47.91 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.231 1.491 . . . . 0.03 113.373 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.98 69.01 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 112.943 -1.935 . . . . 0.02 111.547 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.02 -30.23 69.02 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 118.206 -1.397 . . . . 0.03 113.952 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -64.71 -31.19 72.31 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.52 -1.672 . . . . 0.02 112.602 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.38 -42.5 92.61 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 117.056 -1.858 . . . . 0.02 111.508 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.44 -35.36 79.02 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 124.232 1.968 . . . . 0.03 114.563 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -65.63 -36.27 83.21 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.284 -1.78 . . . . 0.03 112.495 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.91 -53.97 34.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 126.269 2.231 . . . . 0.02 111.568 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -53.29 -37.74 62.48 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 123.666 1.698 . . . . 0.17 114.15 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 15' ' ' ALA . 36.1 mt -60.4 -30.94 69.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 115.4 1.63 . . . . 0.03 115.4 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HB3' HG23 ' A' ' 27' ' ' ILE . 55.0 m-85 -74.82 -62.29 1.59 Allowed 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 114.222 -2.991 . . . . 0.02 110.127 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.81 78.75 5.25 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 126.869 2.606 . . . . 0.03 112.285 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HE3' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -65.53 -17.43 64.56 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.019 -1.9 . . . . 0.03 114.133 -174.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -102.32 -21.75 14.25 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 111.416 -2.629 . . . . 0.03 111.953 -174.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.9 27.65 60.16 Favored Glycine 0 C--N 1.347 1.192 0 C-N-CA 116.106 -2.949 . . . . 0.02 114.658 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 22' ' ' ASP . 30.9 p30 -75.98 -3.46 35.75 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.325 1.232 . . . . 0.02 114.325 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.08 25.13 75.65 Favored Glycine 0 C--N 1.337 0.604 0 O-C-N 124.568 1.167 . . . . 0.02 114.482 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -152.81 117.82 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 123.764 1.745 . . . . 0.02 110.985 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 19' ' ' PHE . 81.7 mt -85.85 115.66 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 111.733 -2.485 . . . . 0.02 110.425 173.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -82.63 163.57 21.33 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.901 1.334 . . . . 0.02 113.101 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 p -59.36 -43.01 92.89 Favored 'General case' 0 C--O 1.239 0.515 1 CA-C-O 128.802 4.144 . . . . 0.02 112.436 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.78 -44.0 90.56 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 109.026 -3.715 . . . . 0.03 112.818 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' HE3' ' A' ' 21' ' ' LYS . 68.8 mt-10 -57.16 -43.42 82.51 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.028 -1.896 . . . . 0.02 112.612 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -54.9 -45.82 74.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.629 1.681 . . . . 0.02 110.749 174.419 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 56.99 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 112.91 -1.95 . . . . 0.03 113.123 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -52.22 -47.24 65.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 118.234 -1.387 . . . . 0.02 113.948 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.02 -51.86 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 117.277 -1.769 . . . . 0.02 114.576 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.4 mmt -50.78 -43.66 58.61 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 116.696 -2.002 . . . . 0.02 114.114 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -44.19 93.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 112.676 -2.056 . . . . 0.02 115.425 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.6 p -64.72 -33.37 75.81 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 123.129 1.442 . . . . 0.02 113.086 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.82 -1.64 9.91 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 112.285 -2.234 . . . . 0.03 113.257 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.96 54.3 1.78 Allowed Glycine 0 C--N 1.341 0.839 0 C-N-CA 119.813 -1.184 . . . . 0.02 111.351 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -146.9 174.21 11.71 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.005 -1.097 . . . . 0.02 108.541 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -137.2 101.25 9.29 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 117.654 -1.619 . . . . 0.02 112.918 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -84.37 139.17 7.88 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 O-C-N 125.607 2.372 . . . . 0.02 111.101 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.62 165.94 23.73 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 113.849 -1.523 . . . . 0.02 110.52 172.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.24 -43.98 61.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.866 -1.134 . . . . 0.02 113.028 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.69 69.66 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 127.228 2.83 . . . . 0.01 110.421 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -57.9 -29.27 64.95 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 114.83 -2.748 . . . . 0.02 114.606 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -44.16 80.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 114.128 -3.029 . . . . 0.02 113.807 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.79 73.18 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 111.04 -2.8 . . . . 0.02 113.221 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -72.15 -38.24 69.24 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.254 -2.248 . . . . 0.01 111.43 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -65.6 -36.19 83.0 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.125 -1.43 . . . . 0.02 113.714 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 63' ' ' ILE . 2.1 mt -66.31 -54.39 26.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 117.836 -1.546 . . . . 0.02 110.395 172.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.36 -28.61 69.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 113.187 -1.824 . . . . 0.02 115.383 -173.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.547 ' HG3' HG13 ' A' ' 55' ' ' VAL . 16.6 pt-20 -66.38 -28.93 69.02 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.15 -1.82 . . . . 0.01 113.726 176.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 54' ' ' GLU . 23.9 m -113.21 14.89 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 113.016 -1.902 . . . . 0.02 113.802 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -86.69 121.24 28.92 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 123.474 1.607 . . . . 0.02 111.231 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.94 -25.18 21.05 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 113.873 -3.131 . . . . 0.02 114.31 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -93.1 -15.39 26.12 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 125.335 1.647 . . . . 0.02 114.594 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.82 10.85 85.95 Favored Glycine 0 C--N 1.345 1.039 0 C-N-CA 115.813 -3.089 . . . . 0.02 113.61 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -73.73 -31.36 63.33 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.986 1.847 . . . . 0.02 115.986 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 125.674 1.858 . . . . 0.02 115.534 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.67 160.67 38.23 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 126.472 1.925 . . . . 0.02 109.012 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG12 HG23 ' A' ' 52' ' ' ILE . 18.1 mm -123.48 140.53 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 115.301 -2.56 . . . . 0.02 110.439 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.537 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 25.5 p30 -112.21 -176.63 2.97 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.818 1.294 . . . . 0.02 112.465 174.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.5 -48.56 96.71 Favored Pre-proline 0 N--CA 1.478 0.967 0 N-CA-C 119.343 3.09 . . . . 0.03 119.343 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 41.7 Cg_exo -47.84 -49.15 14.28 Favored 'Trans proline' 0 C--N 1.37 1.673 0 N-CA-C 116.5 1.692 . . . . 0.02 116.5 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.23 -34.42 72.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 125.808 1.643 . . . . 0.02 110.816 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 58.4 t80 -63.04 -41.84 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 123.456 1.598 . . . . 0.02 111.149 174.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.16 -38.57 85.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 117.293 -1.763 . . . . 0.02 113.822 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.9 p -60.17 -44.16 95.25 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 118.271 -1.372 . . . . 0.18 112.2 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ttt -56.55 -43.45 79.95 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 125.686 2.66 . . . . 2.6 111.987 172.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -63.69 -25.07 68.04 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.138 -1.846 . . . . 0.02 114.818 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.373 0 C-N-CA 116.908 -1.917 . . . . 0.02 112.629 171.448 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.502 -0.872 0 N-CA-C 106.243 -1.762 . . . . 0.02 106.243 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.4 p -52.59 154.14 2.77 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 125.508 1.755 . . . . 0.03 110.229 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -45.57 -28.69 1.0 Allowed 'General case' 0 C--O 1.223 -0.339 0 O-C-N 125.218 1.574 . . . . 0.03 114.748 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.18 -64.21 0.91 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.818 -1.537 . . . . 0.03 108.877 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.0 -46.66 78.67 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 116.328 1.973 . . . . 0.02 116.328 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mt -50.4 -48.93 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 113.885 -1.507 . . . . 0.03 113.013 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -49.42 74.1 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 113.728 -1.578 . . . . 0.02 112.785 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.21 -30.06 66.17 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.771 1.397 . . . . 0.03 114.771 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.0 m-85 -61.11 -41.9 97.54 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.84 -1.944 . . . . 0.02 112.423 169.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.08 -36.7 82.47 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 117.522 -1.671 . . . . 0.02 113.605 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.18 -43.34 95.94 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 116.675 -2.01 . . . . 0.03 113.572 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.07 69.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.187 -1.37 . . . . 0.03 113.235 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.29 -44.41 84.03 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 112.728 -2.033 . . . . 0.02 113.323 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -56.3 -37.18 69.54 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.812 1.291 . . . . 0.17 113.295 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.6 -25.04 60.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.834 -1.53 . . . . 0.03 113.087 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.8 m-30 -74.24 -55.72 5.72 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 113.752 -1.567 . . . . 0.02 111.246 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.32 73.3 3.89 Favored 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 127.167 2.792 . . . . 0.03 111.551 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -30.78 69.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 112.327 -2.215 . . . . 0.03 113.62 -171.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -84.53 -20.79 31.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 111.754 -2.476 . . . . 0.03 112.541 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.83 25.3 75.22 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 117.32 -2.372 . . . . 0.02 113.261 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.42 -3.9 36.45 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 114.764 1.394 . . . . 0.02 114.764 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 21.28 73.69 Favored Glycine 0 C--O 1.227 -0.305 0 CA-C-N 114.373 -1.285 . . . . 0.02 114.923 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -156.27 120.29 4.43 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 124.063 1.887 . . . . 0.02 114.121 -174.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.89 116.89 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 115.083 -2.647 . . . . 0.02 111.239 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 p -87.97 165.41 15.23 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 122.746 1.26 . . . . 0.02 110.727 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -60.47 -42.12 95.59 Favored 'General case' 0 CA--C 1.543 0.692 1 CA-C-O 130.245 4.831 . . . . 0.02 110.224 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.16 -44.56 94.92 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 109.284 -3.598 . . . . 0.03 113.14 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.3 mt-10 -56.19 -43.97 78.96 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 125.251 1.594 . . . . 0.02 111.828 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.94 -39.4 59.15 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.454 1.597 . . . . 0.02 112.575 173.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.31 -48.57 74.27 Favored Glycine 0 C--O 1.219 -0.788 0 C-N-CA 116.807 -2.616 . . . . 0.03 112.135 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -55.81 -43.73 77.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 117.933 -1.507 . . . . 0.02 114.779 172.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.674 HG22 ' CD1' ' A' ' 19' ' ' PHE . 71.9 t -52.87 -68.27 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 125.36 1.662 . . . . 0.02 112.614 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 33.2 mmt -55.94 -39.62 71.97 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 124.126 1.917 . . . . 0.02 112.716 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.32 -36.48 78.03 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.468 -2.151 . . . . 0.02 114.977 174.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -67.65 -35.13 78.31 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.937 1.351 . . . . 0.02 111.726 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.72 -0.96 14.62 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 111.926 -2.397 . . . . 0.03 113.367 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.35 55.88 1.52 Allowed Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.016 -1.447 . . . . 0.02 112.6 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -146.44 176.46 9.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 118.945 -1.102 . . . . 0.02 109.017 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.73 101.37 9.7 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 118.089 -1.445 . . . . 0.02 112.174 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -85.76 137.02 5.46 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 O-C-N 125.691 2.416 . . . . 0.02 112.135 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.51 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 10.7 m -74.66 171.39 13.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.691 -1.595 . . . . 0.02 109.8 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.0 -40.68 67.18 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 118.405 -1.318 . . . . 0.02 113.592 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.25 71.3 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 127.099 2.749 . . . . 0.01 109.261 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.46 -23.94 67.61 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 114.55 -2.86 . . . . 0.02 114.344 -175.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.38 -48.81 38.69 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 113.665 -3.214 . . . . 0.02 112.8 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -47.68 85.01 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 110.853 -2.885 . . . . 0.02 112.941 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.32 -42.48 62.28 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 112.312 -2.222 . . . . 0.01 111.539 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.461 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -64.65 -32.12 73.65 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 116.703 -1.999 . . . . 0.02 114.313 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.598 HG23 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.09 -56.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.441 -1.703 . . . . 0.02 111.101 169.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -59.06 -31.76 69.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 123.768 1.746 . . . . 0.02 115.163 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.687 ' HG3' HG13 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.92 -24.63 66.87 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 113.094 -1.866 . . . . 0.01 114.359 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.687 HG13 ' HG3' ' A' ' 54' ' ' GLU . 29.8 m -118.77 12.91 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 125.137 1.523 . . . . 0.02 113.931 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.86 117.99 24.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 122.796 1.284 . . . . 0.02 110.332 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.54 -24.35 20.64 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 114.429 -2.908 . . . . 0.02 113.516 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -92.99 -15.04 26.65 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 113.025 -1.898 . . . . 0.02 114.904 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.68 13.84 82.64 Favored Glycine 0 C--N 1.348 1.233 0 C-N-CA 116.303 -2.856 . . . . 0.02 113.575 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -76.83 -33.18 57.96 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.918 1.451 . . . . 0.02 114.918 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.45 28.68 7.87 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 119.801 -1.19 . . . . 0.02 115.808 -175.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -153.95 159.67 41.78 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 126.428 1.899 . . . . 0.02 108.402 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.598 HG12 HG23 ' A' ' 52' ' ' ILE . 16.9 mm -124.68 143.21 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 115.42 -2.512 . . . . 0.02 110.93 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.601 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 28.3 p30 -112.25 -173.27 2.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 124.567 2.127 . . . . 0.02 113.54 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.257 39.1 t80 -59.36 -51.25 82.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 118.578 2.806 . . . . 0.03 118.578 172.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.601 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 51.3 Cg_exo -47.17 -51.33 9.59 Favored 'Trans proline' 0 C--N 1.368 1.596 0 N-CA-C 116.49 1.688 . . . . 0.02 116.49 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.34 -36.45 84.06 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 123.289 1.519 . . . . 0.02 111.316 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.82 -44.55 96.63 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 117.058 -1.857 . . . . 0.02 112.307 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.57 -40.66 95.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 118.691 -1.204 . . . . 0.02 112.996 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -61.34 -38.66 87.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 123.582 1.658 . . . . 0.18 112.774 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -42.48 95.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 112.98 -1.918 . . . . 2.6 112.104 172.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.73 -30.3 65.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 113.637 -1.619 . . . . 0.02 115.284 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 117.377 -1.729 . . . . 0.02 113.169 171.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.956 0 N-CA-C 105.053 -2.203 . . . . 1.25 105.053 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -86.38 -68.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 126.953 2.658 . . . . 2.99 109.676 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.498 ' O ' HD22 ' A' ' 4' ' ' LEU . 93.2 mm-40 -74.4 -60.62 2.19 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.847 -1.978 . . . . 0.03 110.014 171.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER -153.93 -174.58 5.01 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 112.901 -1.954 . . . . 0.02 107.172 179.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.1 p -59.33 158.84 8.65 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 118.055 -1.458 . . . . 0.03 110.36 176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -29.48 2.55 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 125.661 1.851 . . . . 0.03 114.629 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -54.83 -64.88 0.69 Allowed 'General case' 0 C--O 1.219 -0.508 0 O-C-N 125.206 1.566 . . . . 0.03 111.007 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 26.5 tp60 -57.79 -44.13 86.06 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 116.039 -2.264 . . . . 0.02 115.16 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -53.26 -48.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 113.578 -1.646 . . . . 0.03 113.822 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -49.67 74.05 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 113.844 -1.525 . . . . 0.02 111.019 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.1 mp0 -56.82 -36.81 70.38 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 118.032 -1.467 . . . . 0.03 113.82 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.58 -33.86 74.6 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 117.681 -1.608 . . . . 0.02 113.853 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -64.14 -43.38 95.4 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 113.637 -1.62 . . . . 0.02 111.455 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.99 -38.9 90.32 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 117.403 -1.719 . . . . 0.03 113.195 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.24 77.46 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.933 -1.031 . . . . 0.03 112.105 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.74 -46.91 87.69 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 126.613 2.445 . . . . 0.02 112.057 174.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 t -56.24 -45.61 79.9 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 123.635 1.683 . . . . 0.17 113.219 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 123.91 1.814 . . . . 0.03 114.994 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 18.5 m-30 -78.8 -57.07 3.94 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 112.259 -2.246 . . . . 0.02 112.215 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.69 73.31 5.84 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 128.189 3.43 . . . . 0.03 111.679 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.524 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -63.25 -24.1 67.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 109.636 -3.438 . . . . 0.03 115.312 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.88 -22.22 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 112.378 -2.192 . . . . 0.03 112.284 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 31.05 72.66 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 112.922 -1.945 . . . . 0.02 114.153 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -77.84 -2.88 38.78 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 115.134 1.531 . . . . 0.02 115.134 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.54 18.15 79.31 Favored Glycine 0 CA--C 1.524 0.649 0 O-C-N 124.75 1.281 . . . . 0.02 115.666 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -151.0 116.07 5.29 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 124.246 1.974 . . . . 0.02 111.306 -172.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.0 mt -82.08 117.95 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 CA-C-N 112.736 -2.029 . . . . 0.02 110.27 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -86.63 170.13 12.1 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 115.261 -2.576 . . . . 0.02 114.183 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -63.02 -41.9 99.65 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-O 129.615 4.531 . . . . 0.02 112.952 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 7.8 tptm -61.78 -42.66 99.28 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.633 -3.439 . . . . 0.03 111.579 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.2 mt-10 -57.34 -38.55 74.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 111.201 -2.727 . . . . 0.02 112.492 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 tm? -52.8 -38.27 60.96 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 125.746 1.904 . . . . 0.02 111.292 175.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -53.94 -53.46 36.67 Favored Glycine 0 C--N 1.343 0.951 0 C-N-CA 118.134 -1.984 . . . . 0.03 112.079 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.7 m -54.14 -45.79 72.08 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 113.007 -1.596 . . . . 0.02 114.127 173.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.8 t -51.69 -69.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 127.241 2.217 . . . . 0.02 113.076 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 1.0 ' SD ' 'CL ' ' A' ' 149' ' ' HLT . 29.5 mmt -59.12 -38.29 79.25 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 125.024 2.345 . . . . 0.02 112.188 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.36 -30.22 71.39 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 112.655 -2.066 . . . . 0.02 115.191 175.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.7 p -75.45 -29.25 59.59 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 117.642 -1.623 . . . . 0.02 111.64 -174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -73.62 -2.2 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 113.16 -1.836 . . . . 0.03 112.553 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.96 66.16 1.32 Allowed Glycine 0 C--O 1.218 -0.887 0 CA-C-N 113.246 -1.797 . . . . 0.02 110.674 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -152.72 170.8 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 107.587 -1.264 . . . . 0.02 107.587 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -132.83 101.35 14.07 Favored Pre-proline 0 CA--C 1.504 -0.796 0 C-N-CA 117.977 -1.489 . . . . 0.02 111.586 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -85.3 150.97 10.58 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 O-C-N 127.978 3.62 . . . . 0.02 112.132 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 48' ' ' LEU . 98.0 m -86.0 164.55 17.31 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 113.541 -1.663 . . . . 0.02 109.627 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.38 -40.7 65.22 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 118.077 -1.449 . . . . 0.02 112.535 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.37 84.55 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 111.369 -2.651 . . . . 0.01 110.604 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.4 -25.1 61.72 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 114.796 -2.762 . . . . 0.02 114.353 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -71.08 -44.99 64.6 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 115.033 -2.667 . . . . 0.02 113.485 178.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -65.26 -40.23 93.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 111.438 -2.619 . . . . 0.02 114.575 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -80.29 -46.74 15.66 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 111.577 -2.556 . . . . 0.01 111.049 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.723 ' SD ' 'CL ' ' A' ' 149' ' ' HLT . 23.1 mmt -55.34 -39.49 70.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.142 -1.423 . . . . 0.02 113.756 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.448 HG23 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -63.61 -58.69 6.32 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 C-N-CA 117.864 -1.534 . . . . 0.02 110.999 174.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -58.16 -33.05 68.79 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 123.994 1.854 . . . . 0.02 115.665 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.767 ' HG3' HG13 ' A' ' 55' ' ' VAL . 15.9 pt-20 -64.9 -25.88 68.08 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 113.564 -1.653 . . . . 0.01 114.328 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.767 HG13 ' HG3' ' A' ' 54' ' ' GLU . 33.5 m -118.1 16.24 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 125.287 1.617 . . . . 0.02 114.079 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.44 116.35 25.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 123.273 1.511 . . . . 0.02 110.731 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.19 -26.06 25.32 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 114.465 -2.894 . . . . 0.02 114.002 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -92.02 -14.62 29.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.374 1.671 . . . . 0.02 114.776 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.35 Favored Glycine 0 C--N 1.349 1.257 0 C-N-CA 116.187 -2.911 . . . . 0.02 113.48 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -75.05 -32.61 61.59 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 115.554 1.687 . . . . 0.02 115.554 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.63 31.46 6.06 Favored Glycine 0 C--N 1.339 0.723 0 O-C-N 124.707 1.254 . . . . 0.02 115.777 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -152.84 161.03 43.07 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 126.144 1.732 . . . . 0.02 108.503 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG12 HG23 ' A' ' 52' ' ' ILE . 30.6 mm -125.05 136.27 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 115.09 -2.644 . . . . 0.02 111.345 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.553 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 18.3 p30 -110.89 179.35 4.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 123.914 1.816 . . . . 0.02 112.846 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.22 -50.97 84.45 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 117.813 2.523 . . . . 0.03 117.813 173.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 31.2 Cg_exo -47.89 -44.9 26.13 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 116.52 1.7 . . . . 0.02 116.52 173.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -69.28 -40.9 77.46 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 124.082 0.953 . . . . 0.02 109.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.546 ' CE1' ' HE2' ' A' ' 19' ' ' PHE . 90.1 t80 -56.64 -42.0 78.15 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 118.859 -1.136 . . . . 0.02 111.701 174.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -40.8 96.91 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.399 1.259 . . . . 0.02 114.399 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -61.38 -39.92 92.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 117.125 -1.83 . . . . 0.18 113.377 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 1.245 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 0.0 OUTLIER -58.24 -42.07 85.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 125.048 2.356 . . . . 2.6 111.31 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.441 ' SD ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mmm -59.97 -35.6 75.35 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 113.447 -1.706 . . . . 0.02 114.869 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.79 74.74 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 112.916 -1.947 . . . . 0.02 113.134 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -67.43 -29.56 69.07 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 113.495 -1.684 . . . . 0.02 114.895 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -69.91 84.74 0.5 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 115.634 1.716 . . . . 0.02 115.634 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 CA-C-N 114.66 -1.155 . . . . 20.0 111.616 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' HLT . . . . . 1.245 'BR ' ' CE ' ' A' ' 71' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.985 0 N-CA-C 106.515 -1.661 . . . . 1.25 106.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -82.62 -69.24 0.64 Allowed 'General case' 0 CA--C 1.498 -1.034 0 O-C-N 128.122 3.389 . . . . 2.99 110.958 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' HD22 ' A' ' 4' ' ' LEU . 80.3 mt-30 -76.42 -65.65 0.9 Allowed 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.365 -1.743 . . . . 0.03 110.126 170.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -157.12 177.44 11.48 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 106.209 -1.775 . . . . 0.02 106.209 -179.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -52.52 154.09 2.74 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 125.483 1.739 . . . . 0.03 110.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -45.44 -28.84 0.97 Allowed 'General case' 0 C--O 1.222 -0.389 0 O-C-N 125.208 1.568 . . . . 0.03 114.812 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.01 -64.25 0.89 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.925 -1.488 . . . . 0.03 108.92 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.542 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.09 -46.57 79.01 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 116.323 1.971 . . . . 0.02 116.323 -179.55 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.3 mt -50.41 -48.98 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 113.973 -1.467 . . . . 0.03 112.999 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.43 74.04 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 113.741 -1.572 . . . . 0.02 112.826 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.542 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.29 -29.9 66.21 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.825 1.417 . . . . 0.03 114.825 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.1 m-85 -61.19 -41.95 97.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.904 -1.918 . . . . 0.02 112.403 169.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.06 -36.7 82.41 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 117.54 -1.664 . . . . 0.02 113.642 171.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.1 -43.49 95.54 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 116.668 -2.013 . . . . 0.03 113.558 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.13 69.61 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.199 -1.364 . . . . 0.03 113.279 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.19 -44.46 83.62 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 112.778 -2.01 . . . . 0.02 113.294 174.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 t -56.3 -37.06 69.37 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 122.979 1.371 . . . . 0.17 113.342 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.74 -24.99 59.97 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 113.805 -1.543 . . . . 0.03 113.098 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.9 m-30 -74.32 -55.72 5.69 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-N 113.75 -1.568 . . . . 0.02 111.241 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.34 73.37 3.91 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 127.224 2.827 . . . . 0.03 111.608 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.98 -30.66 69.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 112.389 -2.187 . . . . 0.03 113.666 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -84.59 -20.89 30.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 111.772 -2.467 . . . . 0.03 112.558 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.93 25.36 74.99 Favored Glycine 0 C--N 1.348 1.237 0 C-N-CA 117.35 -2.357 . . . . 0.02 113.214 -174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.33 -3.87 35.97 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 114.775 1.398 . . . . 0.02 114.775 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.36 20.63 74.58 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 114.395 -1.275 . . . . 0.02 114.695 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -153.94 130.4 10.59 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 123.34 1.543 . . . . 0.02 110.833 -176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.0 mt -82.25 116.14 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 116.086 -2.246 . . . . 0.02 110.285 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -85.94 165.38 16.79 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 116.437 -2.105 . . . . 0.02 112.929 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.403 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 10.7 p -60.01 -42.66 94.77 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-O 130.594 4.997 . . . . 0.02 110.47 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.02 -44.3 94.68 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 109.426 -3.533 . . . . 0.03 113.12 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.5 mt-10 -56.24 -44.05 79.24 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 125.367 1.667 . . . . 0.02 111.824 174.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.89 -39.39 58.96 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 123.52 1.629 . . . . 0.02 112.56 173.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.27 -48.61 73.74 Favored Glycine 0 C--O 1.219 -0.794 0 C-N-CA 116.829 -2.605 . . . . 0.03 112.216 174.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 m -55.84 -43.7 77.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.055 -1.458 . . . . 0.02 114.792 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.673 HG22 ' CD1' ' A' ' 19' ' ' PHE . 72.7 t -52.8 -68.24 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 125.465 1.728 . . . . 0.02 112.628 175.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.967 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 33.2 mmt -55.99 -39.63 72.15 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 124.196 1.95 . . . . 0.02 112.763 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.27 -36.49 77.95 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 112.557 -2.111 . . . . 0.02 114.978 174.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -67.67 -35.15 78.32 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 123.052 1.406 . . . . 0.02 111.703 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.68 -1.0 14.62 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 111.967 -2.379 . . . . 0.03 113.368 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.36 55.79 1.53 Allowed Glycine 0 C--N 1.344 0.992 0 CA-C-N 113.957 -1.474 . . . . 0.02 112.63 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -146.28 176.57 9.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 119.02 -1.072 . . . . 0.02 109.102 -176.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -136.79 101.3 9.66 Favored Pre-proline 0 N--CA 1.471 0.596 0 C-N-CA 118.087 -1.445 . . . . 0.02 112.135 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.72 137.01 5.49 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 O-C-N 126.052 2.606 . . . . 0.02 112.065 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.513 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 m -74.82 171.49 13.89 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 113.599 -1.637 . . . . 0.02 109.696 174.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.1 -40.64 67.46 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 118.523 -1.271 . . . . 0.02 113.494 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.93 -46.16 71.45 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 127.228 2.83 . . . . 0.01 109.212 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.47 -23.9 67.6 Favored 'General case' 0 C--O 1.205 -1.264 0 C-N-CA 114.601 -2.84 . . . . 0.02 114.454 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.42 -48.81 38.26 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 113.93 -3.108 . . . . 0.02 112.679 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -47.91 83.94 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 110.834 -2.894 . . . . 0.02 112.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.16 -42.51 62.73 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 112.278 -2.237 . . . . 0.01 111.582 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -64.76 -31.95 73.42 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 116.684 -2.006 . . . . 0.02 114.267 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.598 HG23 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.14 -56.52 14.28 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.391 -1.724 . . . . 0.02 111.101 169.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -58.99 -31.83 69.13 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 123.792 1.758 . . . . 0.02 115.185 -173.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.688 ' HG3' HG13 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.91 -24.65 66.88 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.201 -1.818 . . . . 0.01 114.345 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 54' ' ' GLU . 30.4 m -118.77 12.97 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 O-C-N 125.142 1.526 . . . . 0.02 113.923 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -85.07 118.16 24.47 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 123.003 1.382 . . . . 0.02 110.285 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.66 -24.38 20.5 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 114.421 -2.911 . . . . 0.02 113.532 -173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -92.98 -15.01 26.72 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 112.972 -1.922 . . . . 0.02 114.894 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 14.24 82.11 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 116.281 -2.866 . . . . 0.02 113.65 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -76.9 -33.64 57.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 115.017 1.488 . . . . 0.02 115.017 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.81 28.59 7.75 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 115.845 1.098 . . . . 0.02 115.845 -175.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 p -153.91 159.66 41.83 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 126.431 1.901 . . . . 0.02 108.305 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.598 HG12 HG23 ' A' ' 52' ' ' ILE . 17.0 mm -124.54 143.37 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 115.354 -2.539 . . . . 0.02 110.891 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 27.7 p-10 -112.33 -173.33 2.22 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 124.62 2.152 . . . . 0.02 113.569 173.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.258 39.3 t80 -59.36 -51.27 82.58 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 118.586 2.81 . . . . 0.03 118.586 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 52.3 Cg_exo -47.07 -51.48 9.3 Favored 'Trans proline' 0 C--N 1.366 1.48 0 N-CA-C 116.503 1.693 . . . . 0.02 116.503 174.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.24 -36.49 84.29 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 123.292 1.52 . . . . 0.02 111.321 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -61.79 -44.63 96.48 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 117.143 -1.823 . . . . 0.02 112.278 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.55 -40.65 95.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.857 -1.152 . . . . 0.02 112.989 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -61.39 -38.73 88.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 123.599 1.666 . . . . 0.18 112.76 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 1.089 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 0.7 OUTLIER -60.17 -42.53 95.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 113.006 -1.906 . . . . 2.6 112.169 172.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.494 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.71 -30.35 65.45 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 115.3 1.592 . . . . 0.02 115.3 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.44 81.5 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 117.495 -1.682 . . . . 0.02 113.187 171.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -22.34 64.95 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.293 -1.776 . . . . 0.02 115.711 174.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.63 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 1.6 tmpt? -64.43 94.35 0.11 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.927 -1.033 . . . . 0.02 112.711 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 C-N-CA 125.188 1.395 . . . . 20.0 110.795 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' HLT . . . . . 1.089 'BR ' ' CE ' ' A' ' 71' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 4' ' ' LEU . . . . . . . . 0 CA--C 1.503 -0.837 0 N-CA-C 105.494 -2.039 . . . . 1.25 105.494 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.64 -68.71 0.69 Allowed 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 126.391 2.307 . . . . 2.99 109.647 176.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.481 ' O ' HD22 ' A' ' 4' ' ' LEU . 97.8 mm-40 -75.25 -59.26 2.82 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 126.33 2.269 . . . . 0.03 109.764 170.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -148.81 -172.95 4.23 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 126.117 2.135 . . . . 0.02 108.205 178.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 p -60.98 157.85 14.61 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 117.157 -1.817 . . . . 0.03 110.838 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.29 -30.4 3.07 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 115.328 1.603 . . . . 0.03 115.328 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.03 -61.98 1.92 Allowed 'General case' 0 C--N 1.344 0.346 0 O-C-N 125.523 1.764 . . . . 0.03 110.915 173.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -60.46 -46.44 90.07 Favored 'General case' 0 CA--C 1.509 -0.615 0 C-N-CA 116.642 -2.023 . . . . 0.02 114.714 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -50.53 -47.55 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 114.427 -1.26 . . . . 0.03 113.831 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -55.35 -51.03 68.11 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 113.874 -1.512 . . . . 0.02 112.006 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.43 -22.98 67.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 115.12 1.526 . . . . 0.03 115.12 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -62.11 -36.56 82.12 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 116.903 -1.919 . . . . 0.02 111.454 170.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -59.43 -43.84 93.03 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 118.593 -1.243 . . . . 0.02 112.6 170.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.41 -36.65 80.92 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 124.137 1.923 . . . . 0.03 113.55 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.27 89.94 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 113.892 -1.504 . . . . 0.03 113.037 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -54.97 -47.28 74.77 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.381 -2.191 . . . . 0.02 111.013 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -54.55 -40.08 68.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 113.454 -1.703 . . . . 0.17 113.605 174.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.74 -39.7 71.5 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 117.266 -1.774 . . . . 0.03 114.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' HB2' HG12 ' A' ' 27' ' ' ILE . 38.5 m-85 -72.63 -63.54 1.14 Allowed 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 116.532 -2.067 . . . . 0.02 109.924 176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -81.43 75.72 8.38 Favored 'General case' 0 CA--C 1.516 -0.336 0 O-C-N 125.877 1.985 . . . . 0.03 113.193 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -21.88 65.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 117.136 -1.826 . . . . 0.03 114.538 -175.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.86 -21.14 34.43 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 112.12 -2.309 . . . . 0.03 112.907 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.35 27.5 71.44 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 117.199 -2.429 . . . . 0.02 114.054 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -75.48 -6.47 50.32 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.055 1.132 . . . . 0.02 114.055 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.09 20.53 77.42 Favored Glycine 0 C--N 1.342 0.916 0 O-C-N 125.105 1.503 . . . . 0.02 114.481 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -150.06 116.4 5.74 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 123.98 1.847 . . . . 0.02 111.166 -174.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 96.4 mt -83.21 114.72 24.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 113.145 -1.843 . . . . 0.02 109.66 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -82.44 165.87 19.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 124.302 2.001 . . . . 0.02 113.993 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.9 p -61.34 -43.81 98.24 Favored 'General case' 0 N--CA 1.467 0.412 1 CA-C-O 128.618 4.056 . . . . 0.02 111.695 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.664 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.47 -39.48 70.43 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 109.775 -3.375 . . . . 0.03 114.098 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.13 -41.06 90.99 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 111.84 -2.436 . . . . 0.02 113.421 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD21 'BR ' ' A' ' 149' ' ' HLT . 3.3 tm? -47.94 -49.87 28.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 124.578 2.132 . . . . 0.02 110.266 172.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.04 99.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 112.165 -2.289 . . . . 0.03 112.873 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -51.58 -54.37 28.25 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 114.487 1.291 . . . . 0.02 114.487 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.55 -45.71 66.54 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 C-N-CA 116.405 -2.118 . . . . 0.02 114.428 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.729 ' SD ' 'BR ' ' A' ' 149' ' ' HLT . 36.1 mmt -51.31 -37.84 49.73 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 115.932 -2.307 . . . . 0.02 113.31 174.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -44.49 94.63 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 112.48 -2.145 . . . . 0.02 115.158 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.0 p -58.53 -33.83 70.32 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 122.909 1.337 . . . . 0.02 113.504 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.29 -1.02 11.37 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 113.017 -1.901 . . . . 0.03 113.907 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.49 56.71 1.97 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 114.174 -1.376 . . . . 0.02 110.85 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -148.03 171.08 16.4 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 125.034 1.079 . . . . 0.02 109.429 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -132.46 101.8 14.36 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 118.13 -1.428 . . . . 0.02 113.044 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -82.87 135.56 7.76 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 O-C-N 125.838 2.494 . . . . 0.02 110.903 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 m -74.44 166.6 23.23 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 113.809 -1.541 . . . . 0.02 109.629 172.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -52.38 -40.92 62.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.57 -1.252 . . . . 0.02 113.348 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.85 71.4 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-N 111.082 -2.781 . . . . 0.01 110.327 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -59.79 -23.11 63.02 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 115.103 -2.639 . . . . 0.02 115.212 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 30' ' ' LYS . 7.1 mp -72.85 -45.93 55.67 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 114.133 -3.027 . . . . 0.02 112.374 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -41.81 98.88 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.515 -2.584 . . . . 0.02 114.319 177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.52 -42.44 25.15 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.678 -2.056 . . . . 0.01 110.472 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.586 ' HB3' 'CL ' ' A' ' 149' ' ' HLT . 0.0 OUTLIER -59.71 -39.54 84.99 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 117.268 -1.773 . . . . 0.02 113.512 175.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.415 HG23 HG12 ' A' ' 63' ' ' ILE . 2.6 mt -64.33 -52.49 55.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 116.665 -2.014 . . . . 0.02 109.979 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -51.22 -35.18 35.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.676 2.102 . . . . 0.02 116.676 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG3' HG13 ' A' ' 55' ' ' VAL . 12.4 pt-20 -75.63 -24.06 56.43 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.055 -1.884 . . . . 0.01 113.75 -177.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 51' ' ' MET . 19.6 m -119.47 15.01 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 O-C-N 125.258 1.599 . . . . 0.02 113.636 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -87.05 121.71 29.88 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.947 1.404 . . . . 0.02 110.741 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.49 -25.18 19.4 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 114.796 -2.762 . . . . 0.02 113.985 -174.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -92.47 -13.52 29.81 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 113.374 -1.739 . . . . 0.02 114.791 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 10.47 84.62 Favored Glycine 0 C--N 1.347 1.194 0 C-N-CA 115.4 -3.286 . . . . 0.02 113.54 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -73.89 -32.8 63.76 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 115.297 1.591 . . . . 0.02 115.297 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 35.03 5.95 Favored Glycine 0 C--N 1.339 0.727 0 O-C-N 125.382 1.676 . . . . 0.02 114.772 -174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 p -155.14 161.98 41.1 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 127.324 2.426 . . . . 0.02 108.334 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 17.9 mm -127.7 132.18 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 117.109 -1.836 . . . . 0.02 112.667 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -109.47 176.32 5.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 124.439 2.066 . . . . 0.02 114.03 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -56.59 -51.83 78.21 Favored Pre-proline 0 N--CA 1.474 0.762 0 N-CA-C 117.58 2.437 . . . . 0.03 117.58 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -44.86 -46.48 12.79 Favored 'Trans proline' 0 C--N 1.369 1.615 0 N-CA-C 116.629 1.742 . . . . 0.02 116.629 169.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -70.26 -30.87 68.02 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 123.067 1.413 . . . . 0.02 113.204 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -67.02 -43.25 83.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.188 -1.369 . . . . 0.02 111.24 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.34 92.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.192 -1.822 . . . . 0.02 114.814 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.2 p -59.68 -41.03 89.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 123.272 1.51 . . . . 0.18 112.686 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.9 ttp -62.7 -43.12 99.62 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 124.409 2.052 . . . . 2.6 111.63 174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.8 mmt -58.27 -30.87 66.92 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 112.716 -2.038 . . . . 0.02 114.598 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.4 -31.22 71.29 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 123.236 1.493 . . . . 0.02 114.283 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -70.92 -47.54 58.51 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 112.788 -2.005 . . . . 0.02 114.225 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.12 151.31 47.2 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 112.831 -1.986 . . . . 0.02 108.451 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.346 0.0 OUTLIER . . . . . 0 C--N 1.352 0.699 0 N-CA-C 116.113 1.894 . . . . 20.0 116.113 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' HLT . . . . . 0.729 'BR ' ' SD ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' LEU . . . . . . . . 0 CA--C 1.505 -0.755 0 N-CA-C 106.087 -1.82 . . . . 1.25 106.087 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.15 -67.25 0.85 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 111.103 -2.771 . . . . 2.99 109.313 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.498 ' O ' HD22 ' A' ' 4' ' ' LEU . 22.0 mp0 -77.34 -56.42 4.57 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 112.845 -1.979 . . . . 0.03 109.049 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 3' ' ' GLN . 0.4 OUTLIER -151.04 -173.8 4.6 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 126.179 2.174 . . . . 0.02 107.234 177.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -58.32 159.05 6.5 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 117.807 -1.557 . . . . 0.03 110.183 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -49.01 -30.56 6.22 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 124.706 1.254 . . . . 0.03 114.236 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -52.87 -64.39 0.83 Allowed 'General case' 0 C--N 1.347 0.492 0 O-C-N 125.089 1.493 . . . . 0.03 110.157 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.47 -47.36 73.06 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 117.319 -1.752 . . . . 0.02 115.195 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -51.63 -47.91 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.231 1.491 . . . . 0.03 113.373 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.98 69.01 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 112.943 -1.935 . . . . 0.02 111.547 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.02 -30.23 69.02 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 118.206 -1.397 . . . . 0.03 113.952 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -64.71 -31.19 72.31 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 117.52 -1.672 . . . . 0.02 112.602 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.38 -42.5 92.61 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 117.056 -1.858 . . . . 0.02 111.508 169.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.44 -35.36 79.02 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 124.232 1.968 . . . . 0.03 114.563 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 18' ' ' LEU . . . -65.63 -36.27 83.21 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.284 -1.78 . . . . 0.03 112.495 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.91 -53.97 34.75 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 126.269 2.231 . . . . 0.02 111.568 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -53.29 -37.74 62.48 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 123.666 1.698 . . . . 0.17 114.15 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 15' ' ' ALA . 36.1 mt -60.4 -30.94 69.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 115.4 1.63 . . . . 0.03 115.4 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HB3' HG23 ' A' ' 27' ' ' ILE . 55.0 m-85 -74.82 -62.29 1.59 Allowed 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 114.222 -2.991 . . . . 0.02 110.127 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.81 78.75 5.25 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 126.869 2.606 . . . . 0.03 112.285 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HE3' ' OE2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -65.53 -17.43 64.56 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.019 -1.9 . . . . 0.03 114.133 -174.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -102.32 -21.75 14.25 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 111.416 -2.629 . . . . 0.03 111.953 -174.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.9 27.65 60.16 Favored Glycine 0 C--N 1.347 1.192 0 C-N-CA 116.106 -2.949 . . . . 0.02 114.658 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 22' ' ' ASP . 30.9 p30 -75.98 -3.46 35.75 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.325 1.232 . . . . 0.02 114.325 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.08 25.13 75.65 Favored Glycine 0 C--N 1.337 0.604 0 O-C-N 124.568 1.167 . . . . 0.02 114.482 -171.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -152.81 117.82 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 123.764 1.745 . . . . 0.02 110.985 -175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 19' ' ' PHE . 81.7 mt -85.85 115.66 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 111.733 -2.485 . . . . 0.02 110.425 173.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -82.63 163.57 21.33 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.901 1.334 . . . . 0.02 113.101 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 p -59.36 -43.01 92.89 Favored 'General case' 0 C--O 1.239 0.515 1 CA-C-O 128.802 4.144 . . . . 0.02 112.436 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -58.78 -44.0 90.56 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 109.026 -3.715 . . . . 0.03 112.818 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' OE2' ' HE3' ' A' ' 21' ' ' LYS . 68.8 mt-10 -57.16 -43.42 82.51 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.028 -1.896 . . . . 0.02 112.612 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -54.9 -45.82 74.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.629 1.681 . . . . 0.02 110.749 174.419 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 56.99 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 112.91 -1.95 . . . . 0.03 113.123 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -52.22 -47.24 65.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 118.234 -1.387 . . . . 0.02 113.948 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.02 -51.86 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 C-N-CA 117.277 -1.769 . . . . 0.02 114.576 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.886 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 31.4 mmt -50.78 -43.66 58.61 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 116.696 -2.002 . . . . 0.02 114.114 174.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -44.19 93.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 112.676 -2.056 . . . . 0.02 115.425 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.6 p -64.72 -33.37 75.81 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 123.129 1.442 . . . . 0.02 113.086 -175.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.82 -1.64 9.91 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 112.285 -2.234 . . . . 0.03 113.257 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.96 54.3 1.78 Allowed Glycine 0 C--N 1.341 0.839 0 C-N-CA 119.813 -1.184 . . . . 0.02 111.351 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -146.9 174.21 11.71 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.005 -1.097 . . . . 0.02 108.541 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -137.2 101.25 9.29 Favored Pre-proline 0 N--CA 1.474 0.756 0 C-N-CA 117.654 -1.619 . . . . 0.02 112.918 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -84.37 139.17 7.88 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 O-C-N 125.607 2.372 . . . . 0.02 111.101 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.62 165.94 23.73 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 113.849 -1.523 . . . . 0.02 110.52 172.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.24 -43.98 61.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 118.866 -1.134 . . . . 0.02 113.028 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.69 69.66 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 127.228 2.83 . . . . 0.01 110.421 172.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -57.9 -29.27 64.95 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 114.83 -2.748 . . . . 0.02 114.606 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -44.16 80.52 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 114.128 -3.029 . . . . 0.02 113.807 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -46.79 73.18 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 111.04 -2.8 . . . . 0.02 113.221 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -72.15 -38.24 69.24 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.254 -2.248 . . . . 0.01 111.43 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -65.6 -36.19 83.0 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.125 -1.43 . . . . 0.02 113.714 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 63' ' ' ILE . 2.1 mt -66.31 -54.39 26.83 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 C-N-CA 117.836 -1.546 . . . . 0.02 110.395 172.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.36 -28.61 69.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 113.187 -1.824 . . . . 0.02 115.383 -173.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.547 ' HG3' HG13 ' A' ' 55' ' ' VAL . 16.6 pt-20 -66.38 -28.93 69.02 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.15 -1.82 . . . . 0.01 113.726 176.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 54' ' ' GLU . 23.9 m -113.21 14.89 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 113.016 -1.902 . . . . 0.02 113.802 177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -86.69 121.24 28.92 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-O 123.474 1.607 . . . . 0.02 111.231 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.94 -25.18 21.05 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 113.873 -3.131 . . . . 0.02 114.31 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -93.1 -15.39 26.12 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 125.335 1.647 . . . . 0.02 114.594 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.82 10.85 85.95 Favored Glycine 0 C--N 1.345 1.039 0 C-N-CA 115.813 -3.089 . . . . 0.02 113.61 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -73.73 -31.36 63.33 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.986 1.847 . . . . 0.02 115.986 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 125.674 1.858 . . . . 0.02 115.534 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.67 160.67 38.23 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 126.472 1.925 . . . . 0.02 109.012 178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG12 HG23 ' A' ' 52' ' ' ILE . 18.1 mm -123.48 140.53 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 115.301 -2.56 . . . . 0.02 110.439 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.537 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 25.5 p30 -112.21 -176.63 2.97 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.818 1.294 . . . . 0.02 112.465 174.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.5 -48.56 96.71 Favored Pre-proline 0 N--CA 1.478 0.967 0 N-CA-C 119.343 3.09 . . . . 0.03 119.343 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 41.7 Cg_exo -47.84 -49.15 14.28 Favored 'Trans proline' 0 C--N 1.37 1.673 0 N-CA-C 116.5 1.692 . . . . 0.02 116.5 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.23 -34.42 72.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 125.808 1.643 . . . . 0.02 110.816 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 58.4 t80 -63.04 -41.84 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 123.456 1.598 . . . . 0.02 111.149 174.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.16 -38.57 85.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 117.293 -1.763 . . . . 0.02 113.822 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.9 p -60.17 -44.16 95.25 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 118.271 -1.372 . . . . 0.18 112.2 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ttt -56.55 -43.45 79.95 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 125.686 2.66 . . . . 2.6 111.987 172.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -63.69 -25.07 68.04 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.138 -1.846 . . . . 0.02 114.818 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.35 73.61 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 116.908 -1.917 . . . . 0.02 112.629 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -67.92 -10.95 57.45 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.962 1.838 . . . . 0.02 115.962 171.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -67.55 90.71 0.26 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 118.966 -1.094 . . . . 0.02 112.599 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.501 0 O-C-N 125.591 1.807 . . . . 20.0 111.781 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' HLT . . . . . 0.886 'BR ' ' CE ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.991 0 N-CA-C 106.486 -1.672 . . . . 1.25 106.486 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.61 -69.26 0.64 Allowed 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 128.029 3.331 . . . . 2.99 110.954 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.466 ' O ' HD22 ' A' ' 4' ' ' LEU . 80.4 mt-30 -76.48 -65.6 0.91 Allowed 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.342 -1.754 . . . . 0.03 110.124 170.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -157.13 177.49 11.43 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.243 -1.762 . . . . 0.02 106.243 -179.574 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.4 p -52.59 154.14 2.77 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 125.508 1.755 . . . . 0.03 110.229 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -45.57 -28.69 1.0 Allowed 'General case' 0 C--O 1.223 -0.339 0 O-C-N 125.218 1.574 . . . . 0.03 114.748 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.18 -64.21 0.91 Allowed 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 113.818 -1.537 . . . . 0.03 108.877 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.538 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.0 -46.66 78.67 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 116.328 1.973 . . . . 0.02 116.328 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mt -50.4 -48.93 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 113.885 -1.507 . . . . 0.03 113.013 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -49.42 74.1 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 113.728 -1.578 . . . . 0.02 112.785 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 2.6 mt-10 -58.21 -30.06 66.17 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.771 1.397 . . . . 0.03 114.771 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 13.0 m-85 -61.11 -41.9 97.54 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 116.84 -1.944 . . . . 0.02 112.423 169.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.08 -36.7 82.47 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 117.522 -1.671 . . . . 0.02 113.605 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.18 -43.34 95.94 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 116.675 -2.01 . . . . 0.03 113.572 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.07 69.77 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.187 -1.37 . . . . 0.03 113.235 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -57.29 -44.41 84.03 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 112.728 -2.033 . . . . 0.02 113.323 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -56.3 -37.18 69.54 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.812 1.291 . . . . 0.17 113.295 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.6 -25.04 60.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.834 -1.53 . . . . 0.03 113.087 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.674 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.8 m-30 -74.24 -55.72 5.72 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 113.752 -1.567 . . . . 0.02 111.246 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -77.32 73.3 3.89 Favored 'General case' 0 CA--C 1.516 -0.36 0 O-C-N 127.167 2.792 . . . . 0.03 111.551 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -30.78 69.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 112.327 -2.215 . . . . 0.03 113.62 -171.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -84.53 -20.79 31.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 111.754 -2.476 . . . . 0.03 112.541 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.83 25.3 75.22 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 117.32 -2.372 . . . . 0.02 113.261 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -75.42 -3.9 36.45 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 114.764 1.394 . . . . 0.02 114.764 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.23 21.28 73.69 Favored Glycine 0 C--O 1.227 -0.305 0 CA-C-N 114.373 -1.285 . . . . 0.02 114.923 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.6 p -156.27 120.29 4.43 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 124.063 1.887 . . . . 0.02 114.121 -174.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.89 116.89 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 115.083 -2.647 . . . . 0.02 111.239 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 p -87.97 165.41 15.23 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 122.746 1.26 . . . . 0.02 110.727 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 11.3 p -60.47 -42.12 95.59 Favored 'General case' 0 CA--C 1.543 0.692 1 CA-C-O 130.245 4.831 . . . . 0.02 110.224 -178.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tpmp? -60.16 -44.56 94.92 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 109.284 -3.598 . . . . 0.03 113.14 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' VAL . 79.3 mt-10 -56.19 -43.97 78.96 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 125.251 1.594 . . . . 0.02 111.828 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 7.2 tt -51.94 -39.4 59.15 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 123.454 1.597 . . . . 0.02 112.575 173.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -56.31 -48.57 74.27 Favored Glycine 0 C--O 1.219 -0.788 0 C-N-CA 116.807 -2.616 . . . . 0.03 112.135 174.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -55.81 -43.73 77.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 117.933 -1.507 . . . . 0.02 114.779 172.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.674 HG22 ' CD1' ' A' ' 19' ' ' PHE . 71.9 t -52.87 -68.27 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 125.36 1.662 . . . . 0.02 112.614 175.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 1.096 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 33.2 mmt -55.94 -39.62 71.97 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 124.126 1.917 . . . . 0.02 112.716 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -60.32 -36.48 78.03 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.468 -2.151 . . . . 0.02 114.977 174.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -67.65 -35.13 78.31 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 122.937 1.351 . . . . 0.02 111.726 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.72 -0.96 14.62 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 111.926 -2.397 . . . . 0.03 113.367 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.35 55.88 1.52 Allowed Glycine 0 C--N 1.344 1.026 0 CA-C-N 114.016 -1.447 . . . . 0.02 112.6 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -146.44 176.46 9.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 118.945 -1.102 . . . . 0.02 109.017 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -136.73 101.37 9.7 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 118.089 -1.445 . . . . 0.02 112.174 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -85.76 137.02 5.46 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 O-C-N 125.691 2.416 . . . . 0.02 112.135 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.51 ' HB ' ' OE1' ' A' ' 47' ' ' GLU . 10.7 m -74.66 171.39 13.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.691 -1.595 . . . . 0.02 109.8 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -54.0 -40.68 67.18 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 118.405 -1.318 . . . . 0.02 113.592 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.25 71.3 Favored 'General case' 0 C--O 1.209 -1.055 0 O-C-N 127.099 2.749 . . . . 0.01 109.261 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' OE1' ' HB ' ' A' ' 44' ' ' THR . 1.1 mp0 -63.46 -23.94 67.61 Favored 'General case' 0 C--O 1.208 -1.098 0 C-N-CA 114.55 -2.86 . . . . 0.02 114.344 -175.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -72.38 -48.81 38.69 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 113.665 -3.214 . . . . 0.02 112.8 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -47.68 85.01 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 110.853 -2.885 . . . . 0.02 112.941 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -73.32 -42.48 62.28 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 112.312 -2.222 . . . . 0.01 111.539 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.461 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -64.65 -32.12 73.65 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 116.703 -1.999 . . . . 0.02 114.313 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.598 HG23 HG12 ' A' ' 63' ' ' ILE . 1.7 mt -66.09 -56.51 14.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.654 0 C-N-CA 117.441 -1.703 . . . . 0.02 111.101 169.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -59.06 -31.76 69.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 123.768 1.746 . . . . 0.02 115.163 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.687 ' HG3' HG13 ' A' ' 55' ' ' VAL . 10.7 pt-20 -65.92 -24.63 66.87 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 113.094 -1.866 . . . . 0.01 114.359 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.687 HG13 ' HG3' ' A' ' 54' ' ' GLU . 29.8 m -118.77 12.91 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 125.137 1.523 . . . . 0.02 113.931 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.86 117.99 24.23 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 122.796 1.284 . . . . 0.02 110.332 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.54 -24.35 20.64 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 114.429 -2.908 . . . . 0.02 113.516 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -92.99 -15.04 26.65 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 113.025 -1.898 . . . . 0.02 114.904 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.68 13.84 82.64 Favored Glycine 0 C--N 1.348 1.233 0 C-N-CA 116.303 -2.856 . . . . 0.02 113.575 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -76.83 -33.18 57.96 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.918 1.451 . . . . 0.02 114.918 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.45 28.68 7.87 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 119.801 -1.19 . . . . 0.02 115.808 -175.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -153.95 159.67 41.78 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 126.428 1.899 . . . . 0.02 108.402 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.598 HG12 HG23 ' A' ' 52' ' ' ILE . 16.9 mm -124.68 143.21 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 115.42 -2.512 . . . . 0.02 110.93 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.601 ' CG ' ' HD2' ' A' ' 66' ' ' PRO . 28.3 p30 -112.25 -173.27 2.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 124.567 2.127 . . . . 0.02 113.54 173.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . 0.257 39.1 t80 -59.36 -51.25 82.71 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 118.578 2.806 . . . . 0.03 118.578 172.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.601 ' HD2' ' CG ' ' A' ' 64' ' ' ASP . 51.3 Cg_exo -47.17 -51.33 9.59 Favored 'Trans proline' 0 C--N 1.368 1.596 0 N-CA-C 116.49 1.688 . . . . 0.02 116.49 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.34 -36.45 84.06 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 123.289 1.519 . . . . 0.02 111.316 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.82 -44.55 96.63 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 117.058 -1.857 . . . . 0.02 112.307 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.57 -40.66 95.94 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 118.691 -1.204 . . . . 0.02 112.996 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -61.34 -38.66 87.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 123.582 1.658 . . . . 0.18 112.774 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.952 ' CE ' 'BR ' ' A' ' 149' ' ' HLT . 0.7 OUTLIER -60.31 -42.48 95.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 112.98 -1.918 . . . . 2.6 112.104 172.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 12' ' ' PHE . 1.8 mmt -57.73 -30.3 65.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 113.637 -1.619 . . . . 0.02 115.284 176.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.45 81.53 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 117.377 -1.729 . . . . 0.02 113.169 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -22.39 64.93 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 113.307 -1.77 . . . . 0.02 115.619 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.629 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 1.6 tmpt? -64.38 94.48 0.11 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.104 -1.039 . . . . 0.02 112.769 174.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 125.186 1.394 . . . . 20.0 110.77 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' HLT . . . . . 1.096 'BR ' ' CE ' ' A' ' 36' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_